1-anilino-2H-pyridine-3-carboxamide

C12H13N3O — CID 19781633

IUPAC1-anilino-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(Nc2ccccc2)C1
InChIInChI=1S/C12H13N3O/c13-12(16)10-5-4-8-15(9-10)14-11-6-2-1-3-7-11/h1-8,14H,9H2,(H2,13,16)
InChIKeyGDEOECUWZYRQMF-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.25
Rot. Bonds3

About 1-anilino-2H-pyridine-3-carboxamide

1-anilino-2H-pyridine-3-carboxamide (PubChem CID 19781633) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-anilino-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-anilino-2H-pyridine-3-carboxamide
PubChem CID19781633
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-anilino-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(Nc2ccccc2)C1
InChIInChI=1S/C12H13N3O/c13-12(16)10-5-4-8-15(9-10)14-11-6-2-1-3-7-11/h1-8,14H,9H2,(H2,13,16)
InChIKeyGDEOECUWZYRQMF-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-anilino-2H-pyridine-3-carboxamide?
The IUPAC name of 1-anilino-2H-pyridine-3-carboxamide (CID 19781633) is 1-anilino-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-anilino-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-anilino-2H-pyridine-3-carboxamide is NC(=O)C1=CC=CN(Nc2ccccc2)C1.
What is the InChIKey of 1-anilino-2H-pyridine-3-carboxamide?
The InChIKey is GDEOECUWZYRQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-12(16)10-5-4-8-15(9-10)14-11-6-2-1-3-7-11/h1-8,14H,9H2,(H2,13,16).
What are the key properties of 1-anilino-2H-pyridine-3-carboxamide?
1-anilino-2H-pyridine-3-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-2H-pyridine-3-carboxamide is sourced from PubChem (CID 19781633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).