2-amino-N-(1H-benzimidazol-2-yl)-3-fluoropyridine-4-carboxamide

C13H10FN5O — CID 105386285

IUPAC2-amino-N-(1H-benzimidazol-2-yl)-3-fluoropyridine-4-carboxamide
SMILESNc1nccc(C(=O)Nc2nc3ccccc3[nH]2)c1F
InChIInChI=1S/C13H10FN5O/c14-10-7(5-6-16-11(10)15)12(20)19-13-17-8-3-1-2-4-9(8)18-13/h1-6H,(H2,15,16)(H2,17,18,19,20)
InChIKeyPGJIZYFCZLVGRA-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.93
Rot. Bonds2

About 2-amino-N-(1H-benzimidazol-2-yl)-3-fluoropyridine-4-carboxamide

2-amino-N-(1H-benzimidazol-2-yl)-3-fluoropyridine-4-carboxamide (PubChem CID 105386285) has the molecular formula C13H10FN5O and a molecular weight of 271.26 g/mol. Its IUPAC name is 2-amino-N-(1H-benzimidazol-2-yl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1H-benzimidazol-2-yl)-3-fluoropyridine-4-carboxamide
PubChem CID105386285
Molecular FormulaC13H10FN5O
Molecular Weight271.26 g/mol
Exact Mass271.09
IUPAC Name2-amino-N-(1H-benzimidazol-2-yl)-3-fluoropyridine-4-carboxamide
SMILESNc1nccc(C(=O)Nc2nc3ccccc3[nH]2)c1F
InChIInChI=1S/C13H10FN5O/c14-10-7(5-6-16-11(10)15)12(20)19-13-17-8-3-1-2-4-9(8)18-13/h1-6H,(H2,15,16)(H2,17,18,19,20)
InChIKeyPGJIZYFCZLVGRA-UHFFFAOYSA-N
XLogP1.93
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-fluorobenzamide
CID 2166675
2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide
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2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 63565075
N-(1H-benzimidazol-2-yl)-2-hydrazinylpyridine-3-carboxamide
CID 63563952
N-(1H-benzimidazol-2-yl)-5-chloro-2-fluorobenzamide
CID 51229012
2-amino-3-fluoro-N-pyridin-2-ylpyridine-4-carboxamide
CID 105384358
5-amino-N-(1H-benzimidazol-2-yl)pyridine-2-carboxamide
CID 81316691
N-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide
CID 51229009
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
2-amino-N-(2,6-difluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105384666
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334
N-(1H-benzimidazol-2-yl)-4-hydrazinylpyridine-2-carboxamide
CID 63563951

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-benzimidazol-2-yl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(1H-benzimidazol-2-yl)-3-fluoropyridine-4-carboxamide (CID 105386285) is 2-amino-N-(1H-benzimidazol-2-yl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(1H-benzimidazol-2-yl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(1H-benzimidazol-2-yl)-3-fluoropyridine-4-carboxamide is Nc1nccc(C(=O)Nc2nc3ccccc3[nH]2)c1F.
What is the InChIKey of 2-amino-N-(1H-benzimidazol-2-yl)-3-fluoropyridine-4-carboxamide?
The InChIKey is PGJIZYFCZLVGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O/c14-10-7(5-6-16-11(10)15)12(20)19-13-17-8-3-1-2-4-9(8)18-13/h1-6H,(H2,15,16)(H2,17,18,19,20).
What are the key properties of 2-amino-N-(1H-benzimidazol-2-yl)-3-fluoropyridine-4-carboxamide?
2-amino-N-(1H-benzimidazol-2-yl)-3-fluoropyridine-4-carboxamide has a molecular weight of 271.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-benzimidazol-2-yl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105386285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).