5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide

C19H16ClN3O2 — CID 109244617

IUPAC5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc(Nc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C19H16ClN3O2/c1-25-18-4-2-3-16(10-18)23-19(24)13-9-17(12-21-11-13)22-15-7-5-14(20)6-8-15/h2-12,22H,1H3,(H,23,24)
InChIKeyQYAYGGRDYLDOGU-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.74
Rot. Bonds5

About 5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide

5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 109244617) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
PubChem CID109244617
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc(Nc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C19H16ClN3O2/c1-25-18-4-2-3-16(10-18)23-19(24)13-9-17(12-21-11-13)22-15-7-5-14(20)6-8-15/h2-12,22H,1H3,(H,23,24)
InChIKeyQYAYGGRDYLDOGU-UHFFFAOYSA-N
XLogP4.74
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245209
N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109244632
N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245082
5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244585
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245269
5-(2,5-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245203
N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109244480
5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109242737
5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109244464
5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109245265
N-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236816
N-[4-(3-methoxyanilino)phenyl]pyridine-3-carboxamide
CID 112987448

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide (CID 109244617) is 5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide is COc1cccc(NC(=O)c2cncc(Nc3ccc(Cl)cc3)c2)c1.
What is the InChIKey of 5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is QYAYGGRDYLDOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-25-18-4-2-3-16(10-18)23-19(24)13-9-17(12-21-11-13)22-15-7-5-14(20)6-8-15/h2-12,22H,1H3,(H,23,24).
What are the key properties of 5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109244617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).