N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide

C19H14N4O — CID 23826035

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cccnc1
InChIInChI=1S/C19H14N4O/c24-19(13-6-5-11-20-12-13)23-15-8-2-1-7-14(15)18-21-16-9-3-4-10-17(16)22-18/h1-12H,(H,21,22)(H,23,24)
InChIKeyXHRDGOJBLYZWIF-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.88
Rot. Bonds3

About N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide

N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 23826035) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID23826035
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cccnc1
InChIInChI=1S/C19H14N4O/c24-19(13-6-5-11-20-12-13)23-15-8-2-1-7-14(15)18-21-16-9-3-4-10-17(16)22-18/h1-12H,(H,21,22)(H,23,24)
InChIKeyXHRDGOJBLYZWIF-UHFFFAOYSA-N
XLogP3.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide (CID 23826035) is N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cccnc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is XHRDGOJBLYZWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c24-19(13-6-5-11-20-12-13)23-15-8-2-1-7-14(15)18-21-16-9-3-4-10-17(16)22-18/h1-12H,(H,21,22)(H,23,24).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 23826035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).