6-(benzimidazol-1-yl)-N-[(3-carbamoylphenyl)methyl]pyridine-3-carboxamide

C21H17N5O2 — CID 75396855

IUPAC6-(benzimidazol-1-yl)-N-[(3-carbamoylphenyl)methyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2ccc(-n3cnc4ccccc43)nc2)c1
InChIInChI=1S/C21H17N5O2/c22-20(27)15-5-3-4-14(10-15)11-24-21(28)16-8-9-19(23-12-16)26-13-25-17-6-1-2-7-18(17)26/h1-10,12-13H,11H2,(H2,22,27)(H,24,28)
InChIKeyYNVHSCKVJMBWEP-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.45
Rot. Bonds5

About 6-(benzimidazol-1-yl)-N-[(3-carbamoylphenyl)methyl]pyridine-3-carboxamide

6-(benzimidazol-1-yl)-N-[(3-carbamoylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 75396855) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-N-[(3-carbamoylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-N-[(3-carbamoylphenyl)methyl]pyridine-3-carboxamide
PubChem CID75396855
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name6-(benzimidazol-1-yl)-N-[(3-carbamoylphenyl)methyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2ccc(-n3cnc4ccccc43)nc2)c1
InChIInChI=1S/C21H17N5O2/c22-20(27)15-5-3-4-14(10-15)11-24-21(28)16-8-9-19(23-12-16)26-13-25-17-6-1-2-7-18(17)26/h1-10,12-13H,11H2,(H2,22,27)(H,24,28)
InChIKeyYNVHSCKVJMBWEP-UHFFFAOYSA-N
XLogP2.45
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-N-[(3-carbamoylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(benzimidazol-1-yl)-N-[(3-carbamoylphenyl)methyl]pyridine-3-carboxamide (CID 75396855) is 6-(benzimidazol-1-yl)-N-[(3-carbamoylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(benzimidazol-1-yl)-N-[(3-carbamoylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(benzimidazol-1-yl)-N-[(3-carbamoylphenyl)methyl]pyridine-3-carboxamide is NC(=O)c1cccc(CNC(=O)c2ccc(-n3cnc4ccccc43)nc2)c1.
What is the InChIKey of 6-(benzimidazol-1-yl)-N-[(3-carbamoylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is YNVHSCKVJMBWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c22-20(27)15-5-3-4-14(10-15)11-24-21(28)16-8-9-19(23-12-16)26-13-25-17-6-1-2-7-18(17)26/h1-10,12-13H,11H2,(H2,22,27)(H,24,28).
What are the key properties of 6-(benzimidazol-1-yl)-N-[(3-carbamoylphenyl)methyl]pyridine-3-carboxamide?
6-(benzimidazol-1-yl)-N-[(3-carbamoylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-N-[(3-carbamoylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 75396855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).