4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide

C13H13N3O2 — CID 25128735

IUPAC4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Nc2ccc(O)cc2)ccn1
InChIInChI=1S/C13H13N3O2/c1-14-13(18)12-8-10(6-7-15-12)16-9-2-4-11(17)5-3-9/h2-8,17H,1H3,(H,14,18)(H,15,16)
InChIKeyVXMHWPCMSHHIIU-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.89
Rot. Bonds3

About 4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide

4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide (PubChem CID 25128735) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide
PubChem CID25128735
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Nc2ccc(O)cc2)ccn1
InChIInChI=1S/C13H13N3O2/c1-14-13(18)12-8-10(6-7-15-12)16-9-2-4-11(17)5-3-9/h2-8,17H,1H3,(H,14,18)(H,15,16)
InChIKeyVXMHWPCMSHHIIU-UHFFFAOYSA-N
XLogP1.89
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide
CID 55241023
4-(2,2-dimethylhydrazinyl)-N-methylpyridine-2-carboxamide
CID 83025450
4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150
4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide
CID 43543672
2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 61264748
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 114155484
4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739
4-[(2-hydroxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 114332705
4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid
CID 43517798
4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide
CID 109216893
N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide
CID 63925495

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide (CID 25128735) is 4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Nc2ccc(O)cc2)ccn1.
What is the InChIKey of 4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide?
The InChIKey is VXMHWPCMSHHIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-14-13(18)12-8-10(6-7-15-12)16-9-2-4-11(17)5-3-9/h2-8,17H,1H3,(H,14,18)(H,15,16).
What are the key properties of 4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide?
4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 25128735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).