N-[3-(1H-benzimidazol-2-ylamino)propyl]pyridine-2-carboxamide

C16H17N5O — CID 122179102

IUPACN-[3-(1H-benzimidazol-2-ylamino)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCNc1nc2ccccc2[nH]1)c1ccccn1
InChIInChI=1S/C16H17N5O/c22-15(14-8-3-4-9-17-14)18-10-5-11-19-16-20-12-6-1-2-7-13(12)21-16/h1-4,6-9H,5,10-11H2,(H,18,22)(H2,19,20,21)
InChIKeyNYCKPQCGBLMCBP-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.19
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-ylamino)propyl]pyridine-2-carboxamide

N-[3-(1H-benzimidazol-2-ylamino)propyl]pyridine-2-carboxamide (PubChem CID 122179102) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-ylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-ylamino)propyl]pyridine-2-carboxamide
PubChem CID122179102
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-[3-(1H-benzimidazol-2-ylamino)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCNc1nc2ccccc2[nH]1)c1ccccn1
InChIInChI=1S/C16H17N5O/c22-15(14-8-3-4-9-17-14)18-10-5-11-19-16-20-12-6-1-2-7-13(12)21-16/h1-4,6-9H,5,10-11H2,(H,18,22)(H2,19,20,21)
InChIKeyNYCKPQCGBLMCBP-UHFFFAOYSA-N
XLogP2.19
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
tert-butyl N-[3-(1H-benzimidazol-2-ylamino)propyl]carbamate
CID 15425062
N-[3-(1H-benzimidazol-2-ylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 122179127
N-[3-(1H-benzimidazol-2-ylamino)propyl]-1,3-benzodioxole-5-carboxamide
CID 122179126
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
N-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 138723232
N-(9-oxononyl)pyridine-2-carboxamide
CID 130335282
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
3-(1H-benzimidazol-2-ylamino)propylsulfanylurea
CID 20557848
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-ylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-ylamino)propyl]pyridine-2-carboxamide (CID 122179102) is N-[3-(1H-benzimidazol-2-ylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-ylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-ylamino)propyl]pyridine-2-carboxamide is O=C(NCCCNc1nc2ccccc2[nH]1)c1ccccn1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-ylamino)propyl]pyridine-2-carboxamide?
The InChIKey is NYCKPQCGBLMCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c22-15(14-8-3-4-9-17-14)18-10-5-11-19-16-20-12-6-1-2-7-13(12)21-16/h1-4,6-9H,5,10-11H2,(H,18,22)(H2,19,20,21).
What are the key properties of N-[3-(1H-benzimidazol-2-ylamino)propyl]pyridine-2-carboxamide?
N-[3-(1H-benzimidazol-2-ylamino)propyl]pyridine-2-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-ylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 122179102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).