3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-[(3-methyl-2-pyridinyl)methyl]propanamide

C20H29N5O — CID 121345474

IUPAC3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-[(3-methyl-2-pyridinyl)methyl]propanamide
SMILESCc1cccnc1CNC(=O)CCc1nnc(CCC(C)C)n1C1CC1
InChIInChI=1S/C20H29N5O/c1-14(2)6-9-18-23-24-19(25(18)16-7-8-16)10-11-20(26)22-13-17-15(3)5-4-12-21-17/h4-5,12,14,16H,6-11,13H2,1-3H3,(H,22,26)
InChIKeyVSOHAYMRINIYME-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.15
Rot. Bonds9

About 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-[(3-methyl-2-pyridinyl)methyl]propanamide

3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-[(3-methyl-2-pyridinyl)methyl]propanamide (PubChem CID 121345474) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-[(3-methyl-2-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-[(3-methyl-2-pyridinyl)methyl]propanamide
PubChem CID121345474
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-[(3-methyl-2-pyridinyl)methyl]propanamide
SMILESCc1cccnc1CNC(=O)CCc1nnc(CCC(C)C)n1C1CC1
InChIInChI=1S/C20H29N5O/c1-14(2)6-9-18-23-24-19(25(18)16-7-8-16)10-11-20(26)22-13-17-15(3)5-4-12-21-17/h4-5,12,14,16H,6-11,13H2,1-3H3,(H,22,26)
InChIKeyVSOHAYMRINIYME-UHFFFAOYSA-N
XLogP3.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-[(3-methyl-2-pyridinyl)methyl]propanamide with MolForge

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Related Compounds

2-((4-ET-5-(2-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-methylphenyl)acetamide
CID 1990711
N-cyclopentyl-2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))acetamide
CID 1154997
2-(4-Butyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-cyclopropyl-acetamide
CID 3212533
N-cyclopropyl-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 6464946
N-[3-[6-[(1-methyl-4-piperidyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide
CID 53358639
N-benzyl-3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 137642906
N-[3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]phenyl]acetamide
CID 137647073
N-benzyl-3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 137647477
N-Cyclohexyl-2-(4-propyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 644715
2-[(4-benzyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide
CID 653595
N-(4-ethylphenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 663353
2-(4-Benzyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-tert-butyl-acetamide
CID 1456231

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-[(3-methyl-2-pyridinyl)methyl]propanamide?
The IUPAC name of 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-[(3-methyl-2-pyridinyl)methyl]propanamide (CID 121345474) is 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-[(3-methyl-2-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-[(3-methyl-2-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-[(3-methyl-2-pyridinyl)methyl]propanamide is Cc1cccnc1CNC(=O)CCc1nnc(CCC(C)C)n1C1CC1.
What is the InChIKey of 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-[(3-methyl-2-pyridinyl)methyl]propanamide?
The InChIKey is VSOHAYMRINIYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-14(2)6-9-18-23-24-19(25(18)16-7-8-16)10-11-20(26)22-13-17-15(3)5-4-12-21-17/h4-5,12,14,16H,6-11,13H2,1-3H3,(H,22,26).
What are the key properties of 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-[(3-methyl-2-pyridinyl)methyl]propanamide?
3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-[(3-methyl-2-pyridinyl)methyl]propanamide has a molecular weight of 355.49 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-[(3-methyl-2-pyridinyl)methyl]propanamide is sourced from PubChem (CID 121345474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).