N-(4-tert-butylphenyl)-1-(3-chloro-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

C75H71Cl3F9N13O4 — CID 159369050

IUPACN-(4-tert-butylphenyl)-1-(3-chloro-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
SMILESCC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccc3Cl)CC2)cc1.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
InChIInChI=1S/C21H24ClN3O.C19H15F6N3O.C18H15ClF3N3O.C17H17ClN4O/c1-21(2,3)16-6-8-17(9-7-16)24-20(26)15-10-13-25(14-11-15)19-18(22)5-4-12-23-19;20-18(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/h4-10,12H,11,13-14H2,1-3H3,(H,24,26);1-7,9H,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)
InChIKeyLJMSQOZBKWKKRQ-UHFFFAOYSA-N
MW1495.82 g/mol
LogP17.44
Rot. Bonds12

About N-(4-tert-butylphenyl)-1-(3-chloro-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

N-(4-tert-butylphenyl)-1-(3-chloro-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 159369050) has the molecular formula C75H71Cl3F9N13O4 and a molecular weight of 1495.82 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-(3-chloro-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.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-(3-chloro-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 CID159369050
Molecular FormulaC75H71Cl3F9N13O4
Molecular Weight1495.82 g/mol
Exact Mass1493.47
IUPAC NameN-(4-tert-butylphenyl)-1-(3-chloro-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
SMILESCC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccc3Cl)CC2)cc1.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
InChIInChI=1S/C21H24ClN3O.C19H15F6N3O.C18H15ClF3N3O.C17H17ClN4O/c1-21(2,3)16-6-8-17(9-7-16)24-20(26)15-10-13-25(14-11-15)19-18(22)5-4-12-23-19;20-18(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/h4-10,12H,11,13-14H2,1-3H3,(H,24,26);1-7,9H,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)
InChIKeyLJMSQOZBKWKKRQ-UHFFFAOYSA-N
XLogP17.44
TPSA193.81 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001495.82
LogP ≤ 517.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze N-(4-tert-butylphenyl)-1-(3-chloro-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 with MolForge

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Launch Full Analysis

Related Compounds

N-(4-tert-butyl-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11257718
N-(4-tert-butyl-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11773633
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
N-[5-chloro-4-[3-[[3-[5-[2-[[5-chloro-4-[3-[(4-fluorophenyl)methylamino]phenyl]-2-pyridinyl]amino]-2-oxoethyl]piperidin-3-yl]-5-fluorophenyl]methylamino]phenyl]-2-pyridinyl]piperidine-3-carboxamide
CID 123593960
N-[5-chloro-4-[3-[(5-fluoro-3-pyridinyl)methylamino]phenyl]-2-pyridinyl]-5-[3-[[3-[5-chloro-2-(piperidine-3-carbonylamino)-4-pyridinyl]anilino]methyl]phenyl]piperidine-3-carboxamide
CID 123707581
(3R)-N-[5-chloro-4-[3-[(3-fluoro-2-methyl-1,2-dihydropyridin-5-yl)methylamino]phenyl]-2-pyridinyl]-5-[3-[[3-[5-chloro-2-[[(3R)-piperidine-3-carbonyl]amino]-4-pyridinyl]anilino]methyl]phenyl]piperidine-3-carboxamide
CID 144147357
2-[1-[4-[(Z)-3-[(3S,5S)-4-[7-(2-amino-6-fluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3,5-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-2-propan-2-ylphenyl]-6-chloro-4-[(2S)-4-[(Z)-3-[5-[4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]-2-methylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorobenzonitrile
CID 146254472
7-(2-amino-5-chloro-4-pyridinyl)-4-[(2S)-4-[(Z)-3-[5-[7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]-2-methylpiperazin-1-yl]-6-chloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146254475
4-[(2S)-4-[(Z)-3-[5-[7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]-2-methylpiperazin-1-yl]-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146254540
1-[5-[(Z)-3-[(3R,5S)-4-[7-(2-amino-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3,5-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-3-propan-2-ylpyrazin-2-yl]-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 146254546
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine
CID 157235212
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

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-(3-chloro-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?
The IUPAC name of N-(4-tert-butylphenyl)-1-(3-chloro-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 (CID 159369050) is N-(4-tert-butylphenyl)-1-(3-chloro-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.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-(3-chloro-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?
The canonical SMILES for N-(4-tert-butylphenyl)-1-(3-chloro-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 is CC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccc3Cl)CC2)cc1.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 N-(4-tert-butylphenyl)-1-(3-chloro-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?
The InChIKey is LJMSQOZBKWKKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O.C19H15F6N3O.C18H15ClF3N3O.C17H17ClN4O/c1-21(2,3)16-6-8-17(9-7-16)24-20(26)15-10-13-25(14-11-15)19-18(22)5-4-12-23-19;20-18(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/h4-10,12H,11,13-14H2,1-3H3,(H,24,26);1-7,9H,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 N-(4-tert-butylphenyl)-1-(3-chloro-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?
N-(4-tert-butylphenyl)-1-(3-chloro-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 1495.82 g/mol, XLogP of 17.44, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-(3-chloro-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 is sourced from PubChem (CID 159369050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).