5-anilino-N-(4-chlorophenyl)-4-methanimidoyl-3-methoxypyridine-2-carboxamide

C20H17ClN4O2 — CID 145131030

IUPAC5-anilino-N-(4-chlorophenyl)-4-methanimidoyl-3-methoxypyridine-2-carboxamide
SMILES[H]/N=C/c1c(Nc2ccccc2)cnc(C(=O)Nc2ccc(Cl)cc2)c1OC
InChIInChI=1S/C20H17ClN4O2/c1-27-19-16(11-22)17(24-14-5-3-2-4-6-14)12-23-18(19)20(26)25-15-9-7-13(21)8-10-15/h2-12,22,24H,1H3,(H,25,26)/b22-11+
InChIKeyQRVIZMWUNBKSFP-SSDVNMTOSA-N
MW380.84 g/mol
LogP4.74
Rot. Bonds6

About 5-anilino-N-(4-chlorophenyl)-4-methanimidoyl-3-methoxypyridine-2-carboxamide

5-anilino-N-(4-chlorophenyl)-4-methanimidoyl-3-methoxypyridine-2-carboxamide (PubChem CID 145131030) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 5-anilino-N-(4-chlorophenyl)-4-methanimidoyl-3-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-anilino-N-(4-chlorophenyl)-4-methanimidoyl-3-methoxypyridine-2-carboxamide
PubChem CID145131030
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name5-anilino-N-(4-chlorophenyl)-4-methanimidoyl-3-methoxypyridine-2-carboxamide
SMILES[H]/N=C/c1c(Nc2ccccc2)cnc(C(=O)Nc2ccc(Cl)cc2)c1OC
InChIInChI=1S/C20H17ClN4O2/c1-27-19-16(11-22)17(24-14-5-3-2-4-6-14)12-23-18(19)20(26)25-15-9-7-13(21)8-10-15/h2-12,22,24H,1H3,(H,25,26)/b22-11+
InChIKeyQRVIZMWUNBKSFP-SSDVNMTOSA-N
XLogP4.74
TPSA87.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163500
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289456
2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268879
5-anilino-N-(4-chlorophenyl)thiadiazole-4-carboxamide
CID 1499111
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
N-(4-chlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632593
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
4-chloro-N-(4-chlorophenyl)-5-methanimidoyl-6-(thian-4-ylamino)pyridine-3-carboxamide
CID 145131031
methyl 4-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199301
benzamide;1-chloro-4-methoxybenzene;N-(4-methoxyphenyl)benzamide
CID 161282145

Frequently Asked Questions

What is the IUPAC name of 5-anilino-N-(4-chlorophenyl)-4-methanimidoyl-3-methoxypyridine-2-carboxamide?
The IUPAC name of 5-anilino-N-(4-chlorophenyl)-4-methanimidoyl-3-methoxypyridine-2-carboxamide (CID 145131030) is 5-anilino-N-(4-chlorophenyl)-4-methanimidoyl-3-methoxypyridine-2-carboxamide.
What is the SMILES notation for 5-anilino-N-(4-chlorophenyl)-4-methanimidoyl-3-methoxypyridine-2-carboxamide?
The canonical SMILES for 5-anilino-N-(4-chlorophenyl)-4-methanimidoyl-3-methoxypyridine-2-carboxamide is [H]/N=C/c1c(Nc2ccccc2)cnc(C(=O)Nc2ccc(Cl)cc2)c1OC.
What is the InChIKey of 5-anilino-N-(4-chlorophenyl)-4-methanimidoyl-3-methoxypyridine-2-carboxamide?
The InChIKey is QRVIZMWUNBKSFP-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-27-19-16(11-22)17(24-14-5-3-2-4-6-14)12-23-18(19)20(26)25-15-9-7-13(21)8-10-15/h2-12,22,24H,1H3,(H,25,26)/b22-11+.
What are the key properties of 5-anilino-N-(4-chlorophenyl)-4-methanimidoyl-3-methoxypyridine-2-carboxamide?
5-anilino-N-(4-chlorophenyl)-4-methanimidoyl-3-methoxypyridine-2-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 4.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-N-(4-chlorophenyl)-4-methanimidoyl-3-methoxypyridine-2-carboxamide is sourced from PubChem (CID 145131030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).