4-[5-(1-amino-1-oxopropan-2-yl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C96H102Cl4F12N16O8 — CID 158530676

IUPAC4-[5-(1-amino-1-oxopropan-2-yl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCNC(=O)C(C)c1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)c(C)c3)CC2)c(Cl)c1.CNC(=O)C(C)c1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)c(C)c3)CC2)c(Cl)c1.Cc1cc(NC(=O)N2CC=C(c3ncc(C(C)C(N)=O)cc3Cl)CC2)ccc1C(F)(F)F.Cc1cc(NC(=O)N2CC=C(c3ncc(CC(=O)NC4CCCCC4)cc3Cl)CC2)ccc1C(F)(F)F
InChIInChI=1S/C27H30ClF3N4O2.C24H26ClF3N4O2.C23H24ClF3N4O2.C22H22ClF3N4O2/c1-17-13-21(7-8-22(17)27(29,30)31)34-26(37)35-11-9-19(10-12-35)25-23(28)14-18(16-32-25)15-24(36)33-20-5-3-2-4-6-20;1-4-29-22(33)15(3)17-12-20(25)21(30-13-17)16-7-9-32(10-8-16)23(34)31-18-5-6-19(14(2)11-18)24(26,27)28;1-13-10-17(4-5-18(13)23(25,26)27)30-22(33)31-8-6-15(7-9-31)20-19(24)11-16(12-29-20)14(2)21(32)28-3;1-12-9-16(3-4-17(12)22(24,25)26)29-21(32)30-7-5-14(6-8-30)19-18(23)10-15(11-28-19)13(2)20(27)31/h7-9,13-14,16,20H,2-6,10-12,15H2,1H3,(H,33,36)(H,34,37);5-7,11-13,15H,4,8-10H2,1-3H3,(H,29,33)(H,31,34);4-6,10-12,14H,7-9H2,1-3H3,(H,28,32)(H,30,33);3-5,9-11,13H,6-8H2,1-2H3,(H2,27,31)(H,29,32)
InChIKeyHNIBFRMYLWEBRE-UHFFFAOYSA-N
MW1977.76 g/mol
LogP22.20
Rot. Bonds18

About 4-[5-(1-amino-1-oxopropan-2-yl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-[5-(1-amino-1-oxopropan-2-yl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 158530676) has the molecular formula C96H102Cl4F12N16O8 and a molecular weight of 1977.76 g/mol. Its IUPAC name is 4-[5-(1-amino-1-oxopropan-2-yl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(1-amino-1-oxopropan-2-yl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID158530676
Molecular FormulaC96H102Cl4F12N16O8
Molecular Weight1977.76 g/mol
Exact Mass1974.66
IUPAC Name4-[5-(1-amino-1-oxopropan-2-yl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCNC(=O)C(C)c1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)c(C)c3)CC2)c(Cl)c1.CNC(=O)C(C)c1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)c(C)c3)CC2)c(Cl)c1.Cc1cc(NC(=O)N2CC=C(c3ncc(C(C)C(N)=O)cc3Cl)CC2)ccc1C(F)(F)F.Cc1cc(NC(=O)N2CC=C(c3ncc(CC(=O)NC4CCCCC4)cc3Cl)CC2)ccc1C(F)(F)F
InChIInChI=1S/C27H30ClF3N4O2.C24H26ClF3N4O2.C23H24ClF3N4O2.C22H22ClF3N4O2/c1-17-13-21(7-8-22(17)27(29,30)31)34-26(37)35-11-9-19(10-12-35)25-23(28)14-18(16-32-25)15-24(36)33-20-5-3-2-4-6-20;1-4-29-22(33)15(3)17-12-20(25)21(30-13-17)16-7-9-32(10-8-16)23(34)31-18-5-6-19(14(2)11-18)24(26,27)28;1-13-10-17(4-5-18(13)23(25,26)27)30-22(33)31-8-6-15(7-9-31)20-19(24)11-16(12-29-20)14(2)21(32)28-3;1-12-9-16(3-4-17(12)22(24,25)26)29-21(32)30-7-5-14(6-8-30)19-18(23)10-15(11-28-19)13(2)20(27)31/h7-9,13-14,16,20H,2-6,10-12,15H2,1H3,(H,33,36)(H,34,37);5-7,11-13,15H,4,8-10H2,1-3H3,(H,29,33)(H,31,34);4-6,10-12,14H,7-9H2,1-3H3,(H,28,32)(H,30,33);3-5,9-11,13H,6-8H2,1-2H3,(H2,27,31)(H,29,32)
InChIKeyHNIBFRMYLWEBRE-UHFFFAOYSA-N
XLogP22.20
TPSA311.31 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms136
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001977.76
LogP ≤ 522.20
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze 4-[5-(1-amino-1-oxopropan-2-yl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-amino-1-oxopropan-2-yl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-[5-(1-amino-1-oxopropan-2-yl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 158530676) is 4-[5-(1-amino-1-oxopropan-2-yl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-[5-(1-amino-1-oxopropan-2-yl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-[5-(1-amino-1-oxopropan-2-yl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is CCNC(=O)C(C)c1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)c(C)c3)CC2)c(Cl)c1.CNC(=O)C(C)c1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)c(C)c3)CC2)c(Cl)c1.Cc1cc(NC(=O)N2CC=C(c3ncc(C(C)C(N)=O)cc3Cl)CC2)ccc1C(F)(F)F.Cc1cc(NC(=O)N2CC=C(c3ncc(CC(=O)NC4CCCCC4)cc3Cl)CC2)ccc1C(F)(F)F.
What is the InChIKey of 4-[5-(1-amino-1-oxopropan-2-yl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is HNIBFRMYLWEBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClF3N4O2.C24H26ClF3N4O2.C23H24ClF3N4O2.C22H22ClF3N4O2/c1-17-13-21(7-8-22(17)27(29,30)31)34-26(37)35-11-9-19(10-12-35)25-23(28)14-18(16-32-25)15-24(36)33-20-5-3-2-4-6-20;1-4-29-22(33)15(3)17-12-20(25)21(30-13-17)16-7-9-32(10-8-16)23(34)31-18-5-6-19(14(2)11-18)24(26,27)28;1-13-10-17(4-5-18(13)23(25,26)27)30-22(33)31-8-6-15(7-9-31)20-19(24)11-16(12-29-20)14(2)21(32)28-3;1-12-9-16(3-4-17(12)22(24,25)26)29-21(32)30-7-5-14(6-8-30)19-18(23)10-15(11-28-19)13(2)20(27)31/h7-9,13-14,16,20H,2-6,10-12,15H2,1H3,(H,33,36)(H,34,37);5-7,11-13,15H,4,8-10H2,1-3H3,(H,29,33)(H,31,34);4-6,10-12,14H,7-9H2,1-3H3,(H,28,32)(H,30,33);3-5,9-11,13H,6-8H2,1-2H3,(H2,27,31)(H,29,32).
What are the key properties of 4-[5-(1-amino-1-oxopropan-2-yl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[5-(1-amino-1-oxopropan-2-yl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 1977.76 g/mol, XLogP of 22.20, 18 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-amino-1-oxopropan-2-yl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 158530676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).