5-amino-2-fluoro-N-(7-methylquinolin-3-yl)pyridine-4-carboxamide

C16H13FN4O — CID 167950062

IUPAC5-amino-2-fluoro-N-(7-methylquinolin-3-yl)pyridine-4-carboxamide
SMILESCc1ccc2cc(NC(=O)c3cc(F)ncc3N)cnc2c1
InChIInChI=1S/C16H13FN4O/c1-9-2-3-10-5-11(7-19-14(10)4-9)21-16(22)12-6-15(17)20-8-13(12)18/h2-8H,18H2,1H3,(H,21,22)
InChIKeySZWBKGYOOHINBZ-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.91
Rot. Bonds2

About 5-amino-2-fluoro-N-(7-methylquinolin-3-yl)pyridine-4-carboxamide

5-amino-2-fluoro-N-(7-methylquinolin-3-yl)pyridine-4-carboxamide (PubChem CID 167950062) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(7-methylquinolin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(7-methylquinolin-3-yl)pyridine-4-carboxamide
PubChem CID167950062
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name5-amino-2-fluoro-N-(7-methylquinolin-3-yl)pyridine-4-carboxamide
SMILESCc1ccc2cc(NC(=O)c3cc(F)ncc3N)cnc2c1
InChIInChI=1S/C16H13FN4O/c1-9-2-3-10-5-11(7-19-14(10)4-9)21-16(22)12-6-15(17)20-8-13(12)18/h2-8H,18H2,1H3,(H,21,22)
InChIKeySZWBKGYOOHINBZ-UHFFFAOYSA-N
XLogP2.91
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-amino-2-fluoro-N-(7-methylquinolin-3-yl)pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(7-methoxyquinolin-3-yl)-2,5-dimethylbenzamide
CID 95745195
5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide
CID 114089633
3-amino-2-methyl-N-quinolin-3-ylbenzamide
CID 61111679
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide
CID 113250442
2-amino-5-fluoro-N-(3-methylphenyl)benzamide
CID 43132634
2-amino-4-chloro-N-quinolin-3-ylbenzamide
CID 61111494
3-amino-4-fluoro-N-quinolin-3-ylbenzamide
CID 61111864
2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide
CID 22830902
2-methyl-3-nitro-N-quinolin-3-ylbenzamide
CID 4079471
5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
CID 115330770
N-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide
CID 103789878

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(7-methylquinolin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-fluoro-N-(7-methylquinolin-3-yl)pyridine-4-carboxamide (CID 167950062) is 5-amino-2-fluoro-N-(7-methylquinolin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(7-methylquinolin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-fluoro-N-(7-methylquinolin-3-yl)pyridine-4-carboxamide is Cc1ccc2cc(NC(=O)c3cc(F)ncc3N)cnc2c1.
What is the InChIKey of 5-amino-2-fluoro-N-(7-methylquinolin-3-yl)pyridine-4-carboxamide?
The InChIKey is SZWBKGYOOHINBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-9-2-3-10-5-11(7-19-14(10)4-9)21-16(22)12-6-15(17)20-8-13(12)18/h2-8H,18H2,1H3,(H,21,22).
What are the key properties of 5-amino-2-fluoro-N-(7-methylquinolin-3-yl)pyridine-4-carboxamide?
5-amino-2-fluoro-N-(7-methylquinolin-3-yl)pyridine-4-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(7-methylquinolin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 167950062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).