N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide

C18H18N6O2 — CID 86992038

IUPACN-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide
SMILESCC(CC(=O)Nc1n[nH]c(-c2ccccn2)n1)NC(=O)c1ccccc1
InChIInChI=1S/C18H18N6O2/c1-12(20-17(26)13-7-3-2-4-8-13)11-15(25)21-18-22-16(23-24-18)14-9-5-6-10-19-14/h2-10,12H,11H2,1H3,(H,20,26)(H2,21,22,23,24,25)
InChIKeyGLKRAWRYJFNKPC-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.01
Rot. Bonds6

About N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide

N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide (PubChem CID 86992038) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide
PubChem CID86992038
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide
SMILESCC(CC(=O)Nc1n[nH]c(-c2ccccn2)n1)NC(=O)c1ccccc1
InChIInChI=1S/C18H18N6O2/c1-12(20-17(26)13-7-3-2-4-8-13)11-15(25)21-18-22-16(23-24-18)14-9-5-6-10-19-14/h2-10,12H,11H2,1H3,(H,20,26)(H2,21,22,23,24,25)
InChIKeyGLKRAWRYJFNKPC-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide with MolForge

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Related Compounds

3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 55844424
4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992065
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
2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 47057837
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-yl)propanamide
CID 51092030
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
2-(4-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 86992055
2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 86992034
4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992058
N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide
CID 25408367

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide?
The IUPAC name of N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide (CID 86992038) is N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide.
What is the SMILES notation for N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide?
The canonical SMILES for N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide is CC(CC(=O)Nc1n[nH]c(-c2ccccn2)n1)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide?
The InChIKey is GLKRAWRYJFNKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-12(20-17(26)13-7-3-2-4-8-13)11-15(25)21-18-22-16(23-24-18)14-9-5-6-10-19-14/h2-10,12H,11H2,1H3,(H,20,26)(H2,21,22,23,24,25).
What are the key properties of N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide?
N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide has a molecular weight of 350.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide is sourced from PubChem (CID 86992038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).