N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide

C14H11N5O — CID 136919029

IUPACN-[(Z)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1nc2ccccc2[nH]1)c1cccnc1
InChIInChI=1S/C14H11N5O/c20-14(10-4-3-7-15-8-10)19-16-9-13-17-11-5-1-2-6-12(11)18-13/h1-9H,(H,17,18)(H,19,20)/b16-9-
InChIKeyMPNBIVZGDOFBBW-SXGWCWSVSA-N
MW265.28 g/mol
LogP1.72
Rot. Bonds3

About N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide

N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide (PubChem CID 136919029) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide
PubChem CID136919029
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC NameN-[(Z)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1nc2ccccc2[nH]1)c1cccnc1
InChIInChI=1S/C14H11N5O/c20-14(10-4-3-7-15-8-10)19-16-9-13-17-11-5-1-2-6-12(11)18-13/h1-9H,(H,17,18)(H,19,20)/b16-9-
InChIKeyMPNBIVZGDOFBBW-SXGWCWSVSA-N
XLogP1.72
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide (CID 136919029) is N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide is O=C(N/N=C\c1nc2ccccc2[nH]1)c1cccnc1.
What is the InChIKey of N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide?
The InChIKey is MPNBIVZGDOFBBW-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H11N5O/c20-14(10-4-3-7-15-8-10)19-16-9-13-17-11-5-1-2-6-12(11)18-13/h1-9H,(H,17,18)(H,19,20)/b16-9-.
What are the key properties of N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide?
N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 136919029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).