N-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C16H13N7O — CID 75479843

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C16H13N7O/c24-16(11-5-6-18-15(7-11)23-10-17-9-20-23)19-8-14-21-12-3-1-2-4-13(12)22-14/h1-7,9-10H,8H2,(H,19,24)(H,21,22)
InChIKeyYMLWVCBYTVNVPV-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.47
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 75479843) has the molecular formula C16H13N7O and a molecular weight of 319.33 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID75479843
Molecular FormulaC16H13N7O
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C16H13N7O/c24-16(11-5-6-18-15(7-11)23-10-17-9-20-23)19-8-14-21-12-3-1-2-4-13(12)22-14/h1-7,9-10H,8H2,(H,19,24)(H,21,22)
InChIKeyYMLWVCBYTVNVPV-UHFFFAOYSA-N
XLogP1.47
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 75479843) is N-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is O=C(NCc1nc2ccccc2[nH]1)c1ccnc(-n2cncn2)c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is YMLWVCBYTVNVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O/c24-16(11-5-6-18-15(7-11)23-10-17-9-20-23)19-8-14-21-12-3-1-2-4-13(12)22-14/h1-7,9-10H,8H2,(H,19,24)(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 75479843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).