N'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide

C14H11N5O2 — CID 4827071

IUPACN'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2nc[nH]c2c1)c1cccnc1
InChIInChI=1S/C14H11N5O2/c20-13(9-3-4-11-12(6-9)17-8-16-11)18-19-14(21)10-2-1-5-15-7-10/h1-8H,(H,16,17)(H,18,20)(H,19,21)
InChIKeyYUCHJUZKNDAVJX-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.03
Rot. Bonds2

About N'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide

N'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide (PubChem CID 4827071) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is N'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide
PubChem CID4827071
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC NameN'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2nc[nH]c2c1)c1cccnc1
InChIInChI=1S/C14H11N5O2/c20-13(9-3-4-11-12(6-9)17-8-16-11)18-19-14(21)10-2-1-5-15-7-10/h1-8H,(H,16,17)(H,18,20)(H,19,21)
InChIKeyYUCHJUZKNDAVJX-UHFFFAOYSA-N
XLogP1.03
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(3H-benzimidazol-5-yl)methanone
CID 71332789
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide
CID 39966213
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393
N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
CID 110743788
N-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43397556
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110473116
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide
CID 82725393

Frequently Asked Questions

What is the IUPAC name of N'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide?
The IUPAC name of N'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide (CID 4827071) is N'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide.
What is the SMILES notation for N'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide?
The canonical SMILES for N'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide is O=C(NNC(=O)c1ccc2nc[nH]c2c1)c1cccnc1.
What is the InChIKey of N'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide?
The InChIKey is YUCHJUZKNDAVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c20-13(9-3-4-11-12(6-9)17-8-16-11)18-19-14(21)10-2-1-5-15-7-10/h1-8H,(H,16,17)(H,18,20)(H,19,21).
What are the key properties of N'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide?
N'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide has a molecular weight of 281.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide is sourced from PubChem (CID 4827071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).