3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-N-(3-pyridin-2-ylpropyl)benzamide

C20H23N5O — CID 118772820

IUPAC3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-N-(3-pyridin-2-ylpropyl)benzamide
SMILESCC(C)c1nc(-c2cccc(C(=O)NCCCc3ccccn3)c2)n[nH]1
InChIInChI=1S/C20H23N5O/c1-14(2)18-23-19(25-24-18)15-7-5-8-16(13-15)20(26)22-12-6-10-17-9-3-4-11-21-17/h3-5,7-9,11,13-14H,6,10,12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyDLYCURBYGXSLQB-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.35
Rot. Bonds7

About 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-N-(3-pyridin-2-ylpropyl)benzamide

3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-N-(3-pyridin-2-ylpropyl)benzamide (PubChem CID 118772820) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-N-(3-pyridin-2-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-N-(3-pyridin-2-ylpropyl)benzamide
PubChem CID118772820
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-N-(3-pyridin-2-ylpropyl)benzamide
SMILESCC(C)c1nc(-c2cccc(C(=O)NCCCc3ccccn3)c2)n[nH]1
InChIInChI=1S/C20H23N5O/c1-14(2)18-23-19(25-24-18)15-7-5-8-16(13-15)20(26)22-12-6-10-17-9-3-4-11-21-17/h3-5,7-9,11,13-14H,6,10,12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyDLYCURBYGXSLQB-UHFFFAOYSA-N
XLogP3.35
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973
4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide
CID 86781630
5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
CID 77088849
3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 58103471
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
3-amino-N-(2-pyridin-2-ylethyl)benzamide
CID 24704285
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
(2R)-2-naphthalen-2-yloxy-N-(3-pyridin-2-ylpropyl)propanamide
CID 97117703
5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide
CID 72935188
N-(2-pyridin-2-ylethyl)-1H-indole-6-carboxamide
CID 22139228
5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide
CID 46964091
3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide
CID 122568538

Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-N-(3-pyridin-2-ylpropyl)benzamide?
The IUPAC name of 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-N-(3-pyridin-2-ylpropyl)benzamide (CID 118772820) is 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-N-(3-pyridin-2-ylpropyl)benzamide.
What is the SMILES notation for 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-N-(3-pyridin-2-ylpropyl)benzamide?
The canonical SMILES for 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-N-(3-pyridin-2-ylpropyl)benzamide is CC(C)c1nc(-c2cccc(C(=O)NCCCc3ccccn3)c2)n[nH]1.
What is the InChIKey of 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-N-(3-pyridin-2-ylpropyl)benzamide?
The InChIKey is DLYCURBYGXSLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14(2)18-23-19(25-24-18)15-7-5-8-16(13-15)20(26)22-12-6-10-17-9-3-4-11-21-17/h3-5,7-9,11,13-14H,6,10,12H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-N-(3-pyridin-2-ylpropyl)benzamide?
3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-N-(3-pyridin-2-ylpropyl)benzamide has a molecular weight of 349.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-N-(3-pyridin-2-ylpropyl)benzamide is sourced from PubChem (CID 118772820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).