N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide

C17H16N4O — CID 110712108

IUPACN-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2n1C1CC1)c1cccnc1
InChIInChI=1S/C17H16N4O/c22-17(12-4-3-9-18-10-12)19-11-16-20-14-5-1-2-6-15(14)21(16)13-7-8-13/h1-6,9-10,13H,7-8,11H2,(H,19,22)
InChIKeyTUBVPVWWCRJMPN-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.70
Rot. Bonds4

About N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide

N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 110712108) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID110712108
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2n1C1CC1)c1cccnc1
InChIInChI=1S/C17H16N4O/c22-17(12-4-3-9-18-10-12)19-11-16-20-14-5-1-2-6-15(14)21(16)13-7-8-13/h1-6,9-10,13H,7-8,11H2,(H,19,22)
InChIKeyTUBVPVWWCRJMPN-UHFFFAOYSA-N
XLogP2.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopropylbenzimidazol-2-yl)methyl]isoquinoline-4-carboxamide
CID 166212126
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 136530963
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964062
N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963912
2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 146089283
N-[(1-hexadecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963923
N-[(1-decylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963920
N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963921
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110712126
N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964061
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 110712099
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 154793757

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide (CID 110712108) is N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide is O=C(NCc1nc2ccccc2n1C1CC1)c1cccnc1.
What is the InChIKey of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is TUBVPVWWCRJMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-17(12-4-3-9-18-10-12)19-11-16-20-14-5-1-2-6-15(14)21(16)13-7-8-13/h1-6,9-10,13H,7-8,11H2,(H,19,22).
What are the key properties of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide?
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 110712108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).