3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide

C12H11FN4O — CID 65482634

IUPAC3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide
SMILESNc1cc(N)cc(C(=O)Nc2ccc(F)cn2)c1
InChIInChI=1S/C12H11FN4O/c13-8-1-2-11(16-6-8)17-12(18)7-3-9(14)5-10(15)4-7/h1-6H,14-15H2,(H,16,17,18)
InChIKeyCNVCVUUKGJTTMK-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.64
Rot. Bonds2

About 3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide

3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide (PubChem CID 65482634) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide
PubChem CID65482634
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide
SMILESNc1cc(N)cc(C(=O)Nc2ccc(F)cn2)c1
InChIInChI=1S/C12H11FN4O/c13-8-1-2-11(16-6-8)17-12(18)7-3-9(14)5-10(15)4-7/h1-6H,14-15H2,(H,16,17,18)
InChIKeyCNVCVUUKGJTTMK-UHFFFAOYSA-N
XLogP1.64
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide 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

4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481834
3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480857
3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481637
2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114326701
N-(5-fluoro-2-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 65482281
3-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 52886230
N-(5-amino-2-pyridinyl)-5-fluoropyridine-3-carboxamide
CID 104785368
5-amino-2-(dimethylamino)-N-(5-fluoro-2-pyridinyl)benzamide
CID 65482639
5-chloro-N-(5-fluoro-2-pyridinyl)-6-hydrazinylpyridine-3-carboxamide
CID 65481484
N-(5-fluoro-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 65479896
N-(5-fluoro-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 65479688
5-amino-N-(5-fluoro-2-pyridinyl)furan-2-carboxamide
CID 82344385

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide?
The IUPAC name of 3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide (CID 65482634) is 3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide is Nc1cc(N)cc(C(=O)Nc2ccc(F)cn2)c1.
What is the InChIKey of 3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide?
The InChIKey is CNVCVUUKGJTTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c13-8-1-2-11(16-6-8)17-12(18)7-3-9(14)5-10(15)4-7/h1-6H,14-15H2,(H,16,17,18).
What are the key properties of 3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide?
3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide has a molecular weight of 246.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide is sourced from PubChem (CID 65482634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).