3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

C18H18N6O2 — CID 55844424

IUPAC3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1n[nH]c(-c2ccccn2)n1)c1ccccc1
InChIInChI=1S/C18H18N6O2/c1-12(25)20-15(13-7-3-2-4-8-13)11-16(26)21-18-22-17(23-24-18)14-9-5-6-10-19-14/h2-10,15H,11H2,1H3,(H,20,25)(H2,21,22,23,24,26)
InChIKeyGCFSDAZMFVZZHA-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.07
Rot. Bonds6

About 3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 55844424) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID55844424
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1n[nH]c(-c2ccccn2)n1)c1ccccc1
InChIInChI=1S/C18H18N6O2/c1-12(25)20-15(13-7-3-2-4-8-13)11-16(26)21-18-22-17(23-24-18)14-9-5-6-10-19-14/h2-10,15H,11H2,1H3,(H,20,25)(H2,21,22,23,24,26)
InChIKeyGCFSDAZMFVZZHA-UHFFFAOYSA-N
XLogP2.07
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide
CID 86992038
(3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2487621
2-phenylsulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 87018830
3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 51087375
2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide
CID 154748583
3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 55487003
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide
CID 29466251
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 47037766
4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992065
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
2-(4-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 86992055
N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 134014968

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 55844424) is 3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is CC(=O)NC(CC(=O)Nc1n[nH]c(-c2ccccn2)n1)c1ccccc1.
What is the InChIKey of 3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is GCFSDAZMFVZZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-12(25)20-15(13-7-3-2-4-8-13)11-16(26)21-18-22-17(23-24-18)14-9-5-6-10-19-14/h2-10,15H,11H2,1H3,(H,20,25)(H2,21,22,23,24,26).
What are the key properties of 3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 350.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 55844424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).