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

C19H27N5O — CID 121345478

IUPAC3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methyl-3-pyridinyl)propanamide
SMILESCc1ccncc1NC(=O)CCc1nnc(CCC(C)C)n1C1CC1
InChIInChI=1S/C19H27N5O/c1-13(2)4-7-17-22-23-18(24(17)15-5-6-15)8-9-19(25)21-16-12-20-11-10-14(16)3/h10-13,15H,4-9H2,1-3H3,(H,21,25)
InChIKeyWMXGZEHGQYUAJF-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.48
Rot. Bonds8

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

3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methyl-3-pyridinyl)propanamide (PubChem CID 121345478) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methyl-3-pyridinyl)propanamide
PubChem CID121345478
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methyl-3-pyridinyl)propanamide
SMILESCc1ccncc1NC(=O)CCc1nnc(CCC(C)C)n1C1CC1
InChIInChI=1S/C19H27N5O/c1-13(2)4-7-17-22-23-18(24(17)15-5-6-15)8-9-19(25)21-16-12-20-11-10-14(16)3/h10-13,15H,4-9H2,1-3H3,(H,21,25)
InChIKeyWMXGZEHGQYUAJF-UHFFFAOYSA-N
XLogP3.48
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(4-Butyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-cyclopropyl-acetamide
CID 3212533
2-methyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide
CID 1484231
N-benzyl-3-[(4-propan-2-yl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 137644968
N-cyclopropyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2618729
3-methyl-N-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]butanamide
CID 136229544
N-cyclopropyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 25162120
N-cyclopropyl-3-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 118740493
N-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclopropanecarboxamide
CID 1484233
N-(2-aminophenyl)-6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide
CID 164624585
US10166214, Example 142
CID 117711442
US10167299, Example 9
CID 122668201
US10167299, Example 7
CID 126585468

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methyl-3-pyridinyl)propanamide?
The IUPAC name of 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methyl-3-pyridinyl)propanamide (CID 121345478) is 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methyl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methyl-3-pyridinyl)propanamide?
The canonical SMILES for 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methyl-3-pyridinyl)propanamide is Cc1ccncc1NC(=O)CCc1nnc(CCC(C)C)n1C1CC1.
What is the InChIKey of 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methyl-3-pyridinyl)propanamide?
The InChIKey is WMXGZEHGQYUAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-13(2)4-7-17-22-23-18(24(17)15-5-6-15)8-9-19(25)21-16-12-20-11-10-14(16)3/h10-13,15H,4-9H2,1-3H3,(H,21,25).
What are the key properties of 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methyl-3-pyridinyl)propanamide?
3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methyl-3-pyridinyl)propanamide has a molecular weight of 341.46 g/mol, XLogP of 3.48, 8 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-(4-methyl-3-pyridinyl)propanamide is sourced from PubChem (CID 121345478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).