4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane

C91H96Cl4F12N16O7 — CID 157388729

IUPAC4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane
SMILESC.C.C=C(N)Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1.CCNC(=O)Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1.CNC(=O)Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1.O=C(Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1)NC1CCCC1
InChIInChI=1S/C25H26ClF3N4O2.C22H22ClF3N4O2.C21H20ClF3N4O2.C21H20ClF3N4O.2CH4/c26-21-13-16(14-22(34)31-19-3-1-2-4-19)15-30-23(21)17-9-11-33(12-10-17)24(35)32-20-7-5-18(6-8-20)25(27,28)29;1-2-27-19(31)12-14-11-18(23)20(28-13-14)15-7-9-30(10-8-15)21(32)29-17-5-3-16(4-6-17)22(24,25)26;1-26-18(30)11-13-10-17(22)19(27-12-13)14-6-8-29(9-7-14)20(31)28-16-4-2-15(3-5-16)21(23,24)25;1-13(26)10-14-11-18(22)19(27-12-14)15-6-8-29(9-7-15)20(30)28-17-4-2-16(3-5-17)21(23,24)25;;/h5-9,13,15,19H,1-4,10-12,14H2,(H,31,34)(H,32,35);3-7,11,13H,2,8-10,12H2,1H3,(H,27,31)(H,29,32);2-6,10,12H,7-9,11H2,1H3,(H,26,30)(H,28,31);2-6,11-12H,1,7-10,26H2,(H,28,30);2*1H4
InChIKeyBLTAAAZKXMDNNI-UHFFFAOYSA-N
MW1895.66 g/mol
LogP21.16
Rot. Bonds18

About 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane

4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane (PubChem CID 157388729) has the molecular formula C91H96Cl4F12N16O7 and a molecular weight of 1895.66 g/mol. Its IUPAC name is 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane.

Molecular Properties

Compound Name4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane
PubChem CID157388729
Molecular FormulaC91H96Cl4F12N16O7
Molecular Weight1895.66 g/mol
Exact Mass1892.62
IUPAC Name4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane
SMILESC.C.C=C(N)Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1.CCNC(=O)Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1.CNC(=O)Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1.O=C(Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1)NC1CCCC1
InChIInChI=1S/C25H26ClF3N4O2.C22H22ClF3N4O2.C21H20ClF3N4O2.C21H20ClF3N4O.2CH4/c26-21-13-16(14-22(34)31-19-3-1-2-4-19)15-30-23(21)17-9-11-33(12-10-17)24(35)32-20-7-5-18(6-8-20)25(27,28)29;1-2-27-19(31)12-14-11-18(23)20(28-13-14)15-7-9-30(10-8-15)21(32)29-17-5-3-16(4-6-17)22(24,25)26;1-26-18(30)11-13-10-17(22)19(27-12-13)14-6-8-29(9-7-14)20(31)28-16-4-2-15(3-5-16)21(23,24)25;1-13(26)10-14-11-18(22)19(27-12-14)15-6-8-29(9-7-15)20(30)28-17-4-2-16(3-5-17)21(23,24)25;;/h5-9,13,15,19H,1-4,10-12,14H2,(H,31,34)(H,32,35);3-7,11,13H,2,8-10,12H2,1H3,(H,27,31)(H,29,32);2-6,10,12H,7-9,11H2,1H3,(H,26,30)(H,28,31);2-6,11-12H,1,7-10,26H2,(H,28,30);2*1H4
InChIKeyBLTAAAZKXMDNNI-UHFFFAOYSA-N
XLogP21.16
TPSA294.24 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001895.66
LogP ≤ 521.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane with MolForge

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Related Compounds

4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68103400
4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]pyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68103402
4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]pyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68103405
4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]pyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68103406
4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]pyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68103407
4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68103408
4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68103409
4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]pyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68103411
4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]pyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68103412
4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyridin-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68103415
4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68103417
4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68103419

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane?
The IUPAC name of 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane (CID 157388729) is 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane.
What is the SMILES notation for 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane?
The canonical SMILES for 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane is C.C.C=C(N)Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1.CCNC(=O)Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1.CNC(=O)Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1.O=C(Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1)NC1CCCC1.
What is the InChIKey of 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane?
The InChIKey is BLTAAAZKXMDNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF3N4O2.C22H22ClF3N4O2.C21H20ClF3N4O2.C21H20ClF3N4O.2CH4/c26-21-13-16(14-22(34)31-19-3-1-2-4-19)15-30-23(21)17-9-11-33(12-10-17)24(35)32-20-7-5-18(6-8-20)25(27,28)29;1-2-27-19(31)12-14-11-18(23)20(28-13-14)15-7-9-30(10-8-15)21(32)29-17-5-3-16(4-6-17)22(24,25)26;1-26-18(30)11-13-10-17(22)19(27-12-13)14-6-8-29(9-7-14)20(31)28-16-4-2-15(3-5-16)21(23,24)25;1-13(26)10-14-11-18(22)19(27-12-14)15-6-8-29(9-7-15)20(30)28-17-4-2-16(3-5-17)21(23,24)25;;/h5-9,13,15,19H,1-4,10-12,14H2,(H,31,34)(H,32,35);3-7,11,13H,2,8-10,12H2,1H3,(H,27,31)(H,29,32);2-6,10,12H,7-9,11H2,1H3,(H,26,30)(H,28,31);2-6,11-12H,1,7-10,26H2,(H,28,30);2*1H4.
What are the key properties of 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane?
4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane has a molecular weight of 1895.66 g/mol, XLogP of 21.16, 18 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane is sourced from PubChem (CID 157388729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).