2-amino-N-(1H-benzimidazol-2-yl)-6-chloropyridine-4-carboxamide

C13H10ClN5O — CID 62873677

IUPAC2-amino-N-(1H-benzimidazol-2-yl)-6-chloropyridine-4-carboxamide
SMILESNc1cc(C(=O)Nc2nc3ccccc3[nH]2)cc(Cl)n1
InChIInChI=1S/C13H10ClN5O/c14-10-5-7(6-11(15)18-10)12(20)19-13-16-8-3-1-2-4-9(8)17-13/h1-6H,(H2,15,18)(H2,16,17,19,20)
InChIKeyAQQURHVQEHNZEP-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.45
Rot. Bonds2

About 2-amino-N-(1H-benzimidazol-2-yl)-6-chloropyridine-4-carboxamide

2-amino-N-(1H-benzimidazol-2-yl)-6-chloropyridine-4-carboxamide (PubChem CID 62873677) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is 2-amino-N-(1H-benzimidazol-2-yl)-6-chloropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1H-benzimidazol-2-yl)-6-chloropyridine-4-carboxamide
PubChem CID62873677
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC Name2-amino-N-(1H-benzimidazol-2-yl)-6-chloropyridine-4-carboxamide
SMILESNc1cc(C(=O)Nc2nc3ccccc3[nH]2)cc(Cl)n1
InChIInChI=1S/C13H10ClN5O/c14-10-5-7(6-11(15)18-10)12(20)19-13-16-8-3-1-2-4-9(8)17-13/h1-6H,(H2,15,18)(H2,16,17,19,20)
InChIKeyAQQURHVQEHNZEP-UHFFFAOYSA-N
XLogP2.45
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 81316691
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
2-amino-6-chloro-N-(2-iodophenyl)pyridine-4-carboxamide
CID 62154227
N-(1H-benzimidazol-2-yl)-5-chloro-2-fluorobenzamide
CID 51229012
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-benzimidazol-2-yl)-6-chloropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(1H-benzimidazol-2-yl)-6-chloropyridine-4-carboxamide (CID 62873677) is 2-amino-N-(1H-benzimidazol-2-yl)-6-chloropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(1H-benzimidazol-2-yl)-6-chloropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(1H-benzimidazol-2-yl)-6-chloropyridine-4-carboxamide is Nc1cc(C(=O)Nc2nc3ccccc3[nH]2)cc(Cl)n1.
What is the InChIKey of 2-amino-N-(1H-benzimidazol-2-yl)-6-chloropyridine-4-carboxamide?
The InChIKey is AQQURHVQEHNZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c14-10-5-7(6-11(15)18-10)12(20)19-13-16-8-3-1-2-4-9(8)17-13/h1-6H,(H2,15,18)(H2,16,17,19,20).
What are the key properties of 2-amino-N-(1H-benzimidazol-2-yl)-6-chloropyridine-4-carboxamide?
2-amino-N-(1H-benzimidazol-2-yl)-6-chloropyridine-4-carboxamide has a molecular weight of 287.71 g/mol, XLogP of 2.45, 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)-6-chloropyridine-4-carboxamide is sourced from PubChem (CID 62873677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).