N-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide

C16H14N6O2 — CID 86995384

IUPACN-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C16H14N6O2/c23-15(19-9-12-2-1-7-17-8-12)16(24)21-13-3-5-14(6-4-13)22-11-18-10-20-22/h1-8,10-11H,9H2,(H,19,23)(H,21,24)
InChIKeyFYQWPVKVQXMJJC-UHFFFAOYSA-N
MW322.33 g/mol
LogP0.92
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide

N-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide (PubChem CID 86995384) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
PubChem CID86995384
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC NameN-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C16H14N6O2/c23-15(19-9-12-2-1-7-17-8-12)16(24)21-13-3-5-14(6-4-13)22-11-18-10-20-22/h1-8,10-11H,9H2,(H,19,23)(H,21,24)
InChIKeyFYQWPVKVQXMJJC-UHFFFAOYSA-N
XLogP0.92
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
CID 86995676
N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2244301
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55761729
N-[(1-phenylcyclopropyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
CID 86996807
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
CID 86996859
1-[4-(4-pyrazol-1-ylphenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66613925
(3S)-5-oxo-1-(pyridin-3-ylmethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 97188890
1-[4-[(4-pyrazol-1-ylphenyl)sulfinylamino]phenyl]-3-(pyridin-3-ylmethyl)urea;hydrate
CID 162316876
N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide
CID 51044362
2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 63680079
2-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]sulfanylacetic acid
CID 104569135
N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3136535

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide (CID 86995384) is N-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide is O=C(NCc1cccnc1)C(=O)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide?
The InChIKey is FYQWPVKVQXMJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c23-15(19-9-12-2-1-7-17-8-12)16(24)21-13-3-5-14(6-4-13)22-11-18-10-20-22/h1-8,10-11H,9H2,(H,19,23)(H,21,24).
What are the key properties of N-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide?
N-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide has a molecular weight of 322.33 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide is sourced from PubChem (CID 86995384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).