N-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide

C15H15N5O — CID 56711500

IUPACN-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide
SMILESO=C(NCCNc1cccnc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H15N5O/c21-15(14-19-12-5-1-2-6-13(12)20-14)18-9-8-17-11-4-3-7-16-10-11/h1-7,10,17H,8-9H2,(H,18,21)(H,19,20)
InChIKeyHRGCSGXXLOHUKF-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.80
Rot. Bonds5

About N-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide

N-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide (PubChem CID 56711500) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide
PubChem CID56711500
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide
SMILESO=C(NCCNc1cccnc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H15N5O/c21-15(14-19-12-5-1-2-6-13(12)20-14)18-9-8-17-11-4-3-7-16-10-11/h1-7,10,17H,8-9H2,(H,18,21)(H,19,20)
InChIKeyHRGCSGXXLOHUKF-UHFFFAOYSA-N
XLogP1.80
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.80
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-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide
CID 58858401
1-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-3-ylurea
CID 51324851
N-pyrazin-2-yl-1H-benzimidazole-2-carboxamide
CID 14371322
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide
CID 584328
N-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-1H-benzimidazole-2-carboxamide
CID 23883158
4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
CID 135629201
2-(1H-benzimidazol-2-yl)-3-hydroxy-1-phenyl-3-[3-(pyridin-3-ylmethylamino)phenyl]prop-2-en-1-one;hydrochloride
CID 157182034
2,4-dimethyl-5-[2-(pyridin-3-ylamino)ethylcarbamoyl]-1H-pyrrole-3-carboxylic acid
CID 74245712
N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide
CID 77084306
1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide
CID 77085057

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide (CID 56711500) is N-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide is O=C(NCCNc1cccnc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is HRGCSGXXLOHUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c21-15(14-19-12-5-1-2-6-13(12)20-14)18-9-8-17-11-4-3-7-16-10-11/h1-7,10,17H,8-9H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide?
N-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 56711500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).