1-(3-chloro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide;N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide

C54H47Cl2F9N10O3 — CID 90833833

IUPAC1-(3-chloro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide;N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)C2=CCN(c3ncccc3Cl)CC2)nc1.O=C(Nc1ccc(C(F)(F)F)cc1)C1=CCN(c2ncccc2C(F)(F)F)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)C1=CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C19H15F6N3O.C18H15ClF3N3O.C17H17ClN4O/c20-18(21,22)13-3-5-14(6-4-13)27-17(29)12-7-10-28(11-8-12)16-15(19(23,24)25)2-1-9-26-16;19-15-2-1-9-23-16(15)25-10-7-12(8-11-25)17(26)24-14-5-3-13(4-6-14)18(20,21)22;1-12-4-5-15(20-11-12)21-17(23)13-6-9-22(10-7-13)16-14(18)3-2-8-19-16/h1-7,9H,8,10-11H2,(H,27,29);1-7,9H,8,10-11H2,(H,24,26);2-6,8,11H,7,9-10H2,1H3,(H,20,21,23)
InChIKeyRPCNVUFZPRFPDC-UHFFFAOYSA-N
MW1125.92 g/mol
LogP12.64
Rot. Bonds9

About 1-(3-chloro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide;N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide

1-(3-chloro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide;N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 90833833) has the molecular formula C54H47Cl2F9N10O3 and a molecular weight of 1125.92 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide;N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide;N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID90833833
Molecular FormulaC54H47Cl2F9N10O3
Molecular Weight1125.92 g/mol
Exact Mass1124.31
IUPAC Name1-(3-chloro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide;N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)C2=CCN(c3ncccc3Cl)CC2)nc1.O=C(Nc1ccc(C(F)(F)F)cc1)C1=CCN(c2ncccc2C(F)(F)F)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)C1=CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C19H15F6N3O.C18H15ClF3N3O.C17H17ClN4O/c20-18(21,22)13-3-5-14(6-4-13)27-17(29)12-7-10-28(11-8-12)16-15(19(23,24)25)2-1-9-26-16;19-15-2-1-9-23-16(15)25-10-7-12(8-11-25)17(26)24-14-5-3-13(4-6-14)18(20,21)22;1-12-4-5-15(20-11-12)21-17(23)13-6-9-22(10-7-13)16-14(18)3-2-8-19-16/h1-7,9H,8,10-11H2,(H,27,29);1-7,9H,8,10-11H2,(H,24,26);2-6,8,11H,7,9-10H2,1H3,(H,20,21,23)
InChIKeyRPCNVUFZPRFPDC-UHFFFAOYSA-N
XLogP12.64
TPSA148.58 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.92
LogP ≤ 512.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-(3-chloro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide;N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-(3-chloropyridin-2-yl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 25224408
(3-Chlorophenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119099030
N-[2-[6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenyl]-2,2-difluoroacetamide
CID 153292404
(M)-N-[2-[6-Chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoyl-piperazin-1-yl]-1-(2-isopropyl-4-methyl-3-pyridyl)-2-oxo-pyrido[2,3-d]pyrimidin-7-yl]-3-fluoro-phenyl]-2,2,2-trifluoro-acetamide
CID 164515231
(M)-N-2-[6-Chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoyl-piperazin-1-yl]-1-(2-isopropyl-4-methyl-3-pyridyl)-2-oxo-pyrido[2,3-d]pyrimidin-7-yl]phenyl]-2,2,2-trifluoro-acetamide
CID 164515232
N-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-pyridinyl)-4-fluorobenzenecarboxamide
CID 1488685
1-(3-chloro-2-pyridinyl)-N-(3-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11267985
1-(3-chloropyridin-2-yl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11372463
1-(3-chloropyridin-2-yl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11429480
1-(3-chloropyridin-2-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11474940
3,5-dichloro-N-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide
CID 45274920
2-chloro-N-[5-chloro-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]piperazin-1-yl]pyridin-3-yl]pyridine-4-carboxamide
CID 59511605

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide;N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide;N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 90833833) is 1-(3-chloro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide;N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide;N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide;N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide is Cc1ccc(NC(=O)C2=CCN(c3ncccc3Cl)CC2)nc1.O=C(Nc1ccc(C(F)(F)F)cc1)C1=CCN(c2ncccc2C(F)(F)F)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)C1=CCN(c2ncccc2Cl)CC1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide;N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is RPCNVUFZPRFPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N3O.C18H15ClF3N3O.C17H17ClN4O/c20-18(21,22)13-3-5-14(6-4-13)27-17(29)12-7-10-28(11-8-12)16-15(19(23,24)25)2-1-9-26-16;19-15-2-1-9-23-16(15)25-10-7-12(8-11-25)17(26)24-14-5-3-13(4-6-14)18(20,21)22;1-12-4-5-15(20-11-12)21-17(23)13-6-9-22(10-7-13)16-14(18)3-2-8-19-16/h1-7,9H,8,10-11H2,(H,27,29);1-7,9H,8,10-11H2,(H,24,26);2-6,8,11H,7,9-10H2,1H3,(H,20,21,23).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide;N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
1-(3-chloro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide;N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 1125.92 g/mol, XLogP of 12.64, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide;N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 90833833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).