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

C18H14ClF4N3O — CID 11429480

IUPAC1-(3-chloro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)c(F)c1)C1=CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C18H14ClF4N3O/c19-14-2-1-7-24-16(14)26-8-5-11(6-9-26)17(27)25-12-3-4-13(15(20)10-12)18(21,22)23/h1-5,7,10H,6,8-9H2,(H,25,27)
InChIKeyFENYYJIGNZOGMK-UHFFFAOYSA-N
MW399.78 g/mol
LogP4.67
Rot. Bonds3

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

1-(3-chloro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 11429480) has the molecular formula C18H14ClF4N3O and a molecular weight of 399.78 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID11429480
Molecular FormulaC18H14ClF4N3O
Molecular Weight399.78 g/mol
Exact Mass399.08
IUPAC Name1-(3-chloro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)c(F)c1)C1=CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C18H14ClF4N3O/c19-14-2-1-7-24-16(14)26-8-5-11(6-9-26)17(27)25-12-3-4-13(15(20)10-12)18(21,22)23/h1-5,7,10H,6,8-9H2,(H,25,27)
InChIKeyFENYYJIGNZOGMK-UHFFFAOYSA-N
XLogP4.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.78
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

R-1663
CID 24849206
(3S)-1-(3-chloropyridin-2-yl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 25224408
Bisanilinopyrimidine, 9m
CID 70702160
3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide
CID 138544107
1-(5-Chloropyridin-2-yl)-3-[2-(2,6-difluorophenyl)ethyl]urea
CID 469199
N-[2-[[(5-chloro-2-pyridinyl)amino]methyl]phenyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 44449404
2-chloro-4,5-difluoro-N-(5-methylpyridin-2-yl)benzamide
CID 878799
2-chloro-4,5-difluoro-N-{2-[(2-pyridinylamino)carbonyl]phenyl}benzamide
CID 992680
(E)-N-(5-chloropyridin-2-yl)-2-methyl-3-phenylprop-2-enamide
CID 2190627
4-chloro-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]benzamide
CID 2768252
N-((5-chloropyridin-2-yl)carbamoyl)benzamide
CID 2987279
ST50631408
CID 3929829

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 11429480) is 1-(3-chloro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)c(F)c1)C1=CCN(c2ncccc2Cl)CC1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is FENYYJIGNZOGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF4N3O/c19-14-2-1-7-24-16(14)26-8-5-11(6-9-26)17(27)25-12-3-4-13(15(20)10-12)18(21,22)23/h1-5,7,10H,6,8-9H2,(H,25,27).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
1-(3-chloro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 399.78 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 11429480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).