N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide

C15H13N5O — CID 43073180

IUPACN-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)c1cccnc1
InChIInChI=1S/C15H13N5O/c21-15(13-2-1-7-16-8-13)19-14-5-3-12(4-6-14)9-20-11-17-10-18-20/h1-8,10-11H,9H2,(H,19,21)
InChIKeyZTZVQDWOQAJQJN-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.97
Rot. Bonds4

About N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide

N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide (PubChem CID 43073180) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
PubChem CID43073180
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC NameN-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)c1cccnc1
InChIInChI=1S/C15H13N5O/c21-15(13-2-1-7-16-8-13)19-14-5-3-12(4-6-14)9-20-11-17-10-18-20/h1-8,10-11H,9H2,(H,19,21)
InChIKeyZTZVQDWOQAJQJN-UHFFFAOYSA-N
XLogP1.97
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide
CID 42063957
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 30873270
ethyl 4-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]benzoate
CID 42063924
3-(pyridin-3-ylsulfonylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 31963033
4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 31957653
N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43038170
3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)anilino]propanoic acid
CID 62229939
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-(3-iodo-4-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24590803

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide (CID 43073180) is N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Cn2cncn2)cc1)c1cccnc1.
What is the InChIKey of N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is ZTZVQDWOQAJQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c21-15(13-2-1-7-16-8-13)19-14-5-3-12(4-6-14)9-20-11-17-10-18-20/h1-8,10-11H,9H2,(H,19,21).
What are the key properties of N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide?
N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 43073180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).