N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide

C19H14ClF2N3O2 — CID 109163790

IUPACN-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(F)c(F)c3)nc2)cc1Cl
InChIInChI=1S/C19H14ClF2N3O2/c1-27-17-6-4-12(8-14(17)20)25-19(26)11-2-7-18(23-10-11)24-13-3-5-15(21)16(22)9-13/h2-10H,1H3,(H,23,24)(H,25,26)
InChIKeySJGMYGHWCHGFSN-UHFFFAOYSA-N
MW389.79 g/mol
LogP5.02
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide (PubChem CID 109163790) has the molecular formula C19H14ClF2N3O2 and a molecular weight of 389.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
PubChem CID109163790
Molecular FormulaC19H14ClF2N3O2
Molecular Weight389.79 g/mol
Exact Mass389.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(F)c(F)c3)nc2)cc1Cl
InChIInChI=1S/C19H14ClF2N3O2/c1-27-17-6-4-12(8-14(17)20)25-19(26)11-2-7-18(23-10-11)24-13-3-5-15(21)16(22)9-13/h2-10H,1H3,(H,23,24)(H,25,26)
InChIKeySJGMYGHWCHGFSN-UHFFFAOYSA-N
XLogP5.02
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.79
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113019113
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113019095
N-(3-chloro-4-methoxyphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62184786
6-(3,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109164336
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113020111
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443
6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 62060820
N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109159919
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164202
N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
CID 109151743
N-(3,4-difluorophenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162873
N-(2-chlorophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109163378

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide (CID 109163790) is N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(Nc3ccc(F)c(F)c3)nc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide?
The InChIKey is SJGMYGHWCHGFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O2/c1-27-17-6-4-12(8-14(17)20)25-19(26)11-2-7-18(23-10-11)24-13-3-5-15(21)16(22)9-13/h2-10H,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide has a molecular weight of 389.79 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109163790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).