6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide

C19H15ClF2N4O2 — CID 162677071

IUPAC6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
SMILESN#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1cccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClF2N4O2/c20-13-6-4-12(5-7-13)15-2-1-3-16(25-15)18(28)24-10-17(27)26-11-19(21,22)8-14(26)9-23/h1-7,14H,8,10-11H2,(H,24,28)/t14-/m0/s1
InChIKeyPONJCFYHFPIYJJ-AWEZNQCLSA-N
MW404.80 g/mol
LogP2.89
Rot. Bonds4

About 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide

6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 162677071) has the molecular formula C19H15ClF2N4O2 and a molecular weight of 404.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
PubChem CID162677071
Molecular FormulaC19H15ClF2N4O2
Molecular Weight404.80 g/mol
Exact Mass404.09
IUPAC Name6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
SMILESN#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1cccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClF2N4O2/c20-13-6-4-12(5-7-13)15-2-1-3-16(25-15)18(28)24-10-17(27)26-11-19(21,22)8-14(26)9-23/h1-7,14H,8,10-11H2,(H,24,28)/t14-/m0/s1
InChIKeyPONJCFYHFPIYJJ-AWEZNQCLSA-N
XLogP2.89
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.80
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Pyridine amide, 28
CID 44237003
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CID 10127451
5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-pyridine-2-carboxylic acid (1-propyl-butyl)-amide
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CID 46216788
6,7-dichloro-4-(4-fluoro-3-(4-(pyrrolidin-1-yl)piperidine-1-carbonyl)benzyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46216812
6,7-dichloro-4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46229754
4-(3-(4-butylpiperazine-1-carbonyl)-4-fluorobenzyl)-6,7-dichloropyrrolo[1,2-a]pyrazin-1(2H)-one
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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide (CID 162677071) is 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide is N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1cccc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is PONJCFYHFPIYJJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H15ClF2N4O2/c20-13-6-4-12(5-7-13)15-2-1-3-16(25-15)18(28)24-10-17(27)26-11-19(21,22)8-14(26)9-23/h1-7,14H,8,10-11H2,(H,24,28)/t14-/m0/s1.
What are the key properties of 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide?
6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 404.80 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 162677071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).