3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide

C16H14N4O — CID 104740834

IUPAC3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ncccc2N)c2ccccc2n1
InChIInChI=1S/C16H14N4O/c1-10-9-14(11-5-2-3-7-13(11)19-10)20-16(21)15-12(17)6-4-8-18-15/h2-9H,17H2,1H3,(H,19,20,21)
InChIKeyPGXFQTNZIVBEIP-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.77
Rot. Bonds2

About 3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide

3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide (PubChem CID 104740834) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide
PubChem CID104740834
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ncccc2N)c2ccccc2n1
InChIInChI=1S/C16H14N4O/c1-10-9-14(11-5-2-3-7-13(11)19-10)20-16(21)15-12(17)6-4-8-18-15/h2-9H,17H2,1H3,(H,19,20,21)
InChIKeyPGXFQTNZIVBEIP-UHFFFAOYSA-N
XLogP2.77
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide (CID 104740834) is 3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide is Cc1cc(NC(=O)c2ncccc2N)c2ccccc2n1.
What is the InChIKey of 3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide?
The InChIKey is PGXFQTNZIVBEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-10-9-14(11-5-2-3-7-13(11)19-10)20-16(21)15-12(17)6-4-8-18-15/h2-9H,17H2,1H3,(H,19,20,21).
What are the key properties of 3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide?
3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 104740834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).