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

C91H96Cl4F12N20O7 — CID 159341306

IUPAC4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane
SMILESC.C=C(N)Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1.CCNC(=O)Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1.O=C(Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1)NC1CCCC1.O=C(Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1)NC1CCCCC1
InChIInChI=1S/C25H27ClF3N5O2.C24H25ClF3N5O2.C21H21ClF3N5O2.C20H19ClF3N5O.CH4/c26-20-12-16(13-22(35)32-19-4-2-1-3-5-19)14-31-23(20)17-8-10-34(11-9-17)24(36)33-21-7-6-18(15-30-21)25(27,28)29;25-19-11-15(12-21(34)31-18-3-1-2-4-18)13-30-22(19)16-7-9-33(10-8-16)23(35)32-20-6-5-17(14-29-20)24(26,27)28;1-2-26-18(31)10-13-9-16(22)19(28-11-13)14-5-7-30(8-6-14)20(32)29-17-4-3-15(12-27-17)21(23,24)25;1-12(25)8-13-9-16(21)18(27-10-13)14-4-6-29(7-5-14)19(30)28-17-3-2-15(11-26-17)20(22,23)24;/h6-8,12,14-15,19H,1-5,9-11,13H2,(H,32,35)(H,30,33,36);5-7,11,13-14,18H,1-4,8-10,12H2,(H,31,34)(H,29,32,35);3-5,9,11-12H,2,6-8,10H2,1H3,(H,26,31)(H,27,29,32);2-4,9-11H,1,5-8,25H2,(H,26,28,30);1H4
InChIKeyLGECNQRTFKFNLQ-UHFFFAOYSA-N
MW1951.69 g/mol
LogP19.80
Rot. Bonds19

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

4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane (PubChem CID 159341306) has the molecular formula C91H96Cl4F12N20O7 and a molecular weight of 1951.69 g/mol. Its IUPAC name is 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane.

Molecular Properties

Compound Name4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane
PubChem CID159341306
Molecular FormulaC91H96Cl4F12N20O7
Molecular Weight1951.69 g/mol
Exact Mass1948.63
IUPAC Name4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane
SMILESC.C=C(N)Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1.CCNC(=O)Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1.O=C(Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1)NC1CCCC1.O=C(Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1)NC1CCCCC1
InChIInChI=1S/C25H27ClF3N5O2.C24H25ClF3N5O2.C21H21ClF3N5O2.C20H19ClF3N5O.CH4/c26-20-12-16(13-22(35)32-19-4-2-1-3-5-19)14-31-23(20)17-8-10-34(11-9-17)24(36)33-21-7-6-18(15-30-21)25(27,28)29;25-19-11-15(12-21(34)31-18-3-1-2-4-18)13-30-22(19)16-7-9-33(10-8-16)23(35)32-20-6-5-17(14-29-20)24(26,27)28;1-2-26-18(31)10-13-9-16(22)19(28-11-13)14-5-7-30(8-6-14)20(32)29-17-4-3-15(12-27-17)21(23,24)25;1-12(25)8-13-9-16(21)18(27-10-13)14-4-6-29(7-5-14)19(30)28-17-3-2-15(11-26-17)20(22,23)24;/h6-8,12,14-15,19H,1-5,9-11,13H2,(H,32,35)(H,30,33,36);5-7,11,13-14,18H,1-4,8-10,12H2,(H,31,34)(H,29,32,35);3-5,9,11-12H,2,6-8,10H2,1H3,(H,26,31)(H,27,29,32);2-4,9-11H,1,5-8,25H2,(H,26,28,30);1H4
InChIKeyLGECNQRTFKFNLQ-UHFFFAOYSA-N
XLogP19.80
TPSA345.80 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms134
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001951.69
LogP ≤ 519.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane?
The IUPAC name of 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane (CID 159341306) is 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-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-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane?
The canonical SMILES for 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane is C.C=C(N)Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1.CCNC(=O)Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1.O=C(Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1)NC1CCCC1.O=C(Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1)NC1CCCCC1.
What is the InChIKey of 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane?
The InChIKey is LGECNQRTFKFNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClF3N5O2.C24H25ClF3N5O2.C21H21ClF3N5O2.C20H19ClF3N5O.CH4/c26-20-12-16(13-22(35)32-19-4-2-1-3-5-19)14-31-23(20)17-8-10-34(11-9-17)24(36)33-21-7-6-18(15-30-21)25(27,28)29;25-19-11-15(12-21(34)31-18-3-1-2-4-18)13-30-22(19)16-7-9-33(10-8-16)23(35)32-20-6-5-17(14-29-20)24(26,27)28;1-2-26-18(31)10-13-9-16(22)19(28-11-13)14-5-7-30(8-6-14)20(32)29-17-4-3-15(12-27-17)21(23,24)25;1-12(25)8-13-9-16(21)18(27-10-13)14-4-6-29(7-5-14)19(30)28-17-3-2-15(11-26-17)20(22,23)24;/h6-8,12,14-15,19H,1-5,9-11,13H2,(H,32,35)(H,30,33,36);5-7,11,13-14,18H,1-4,8-10,12H2,(H,31,34)(H,29,32,35);3-5,9,11-12H,2,6-8,10H2,1H3,(H,26,31)(H,27,29,32);2-4,9-11H,1,5-8,25H2,(H,26,28,30);1H4.
What are the key properties of 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane?
4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane has a molecular weight of 1951.69 g/mol, XLogP of 19.80, 19 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane is sourced from PubChem (CID 159341306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).