3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-5-(dimethylamino)-N-(2,4-dimethylphenyl)pentanamide

C26H41N5O — CID 148795928

IUPAC3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-5-(dimethylamino)-N-(2,4-dimethylphenyl)pentanamide
SMILESCc1ccc(NC(=O)CC(CCN(C)C)c2nnc(CCCC(C)C)n2C2CC2)c(C)c1
InChIInChI=1S/C26H41N5O/c1-18(2)8-7-9-24-28-29-26(31(24)22-11-12-22)21(14-15-30(5)6)17-25(32)27-23-13-10-19(3)16-20(23)4/h10,13,16,18,21-22H,7-9,11-12,14-15,17H2,1-6H3,(H,27,32)
InChIKeyONBXIVCLSNNECI-UHFFFAOYSA-N
MW439.65 g/mol
LogP5.27
Rot. Bonds12

About 3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-5-(dimethylamino)-N-(2,4-dimethylphenyl)pentanamide

3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-5-(dimethylamino)-N-(2,4-dimethylphenyl)pentanamide (PubChem CID 148795928) has the molecular formula C26H41N5O and a molecular weight of 439.65 g/mol. Its IUPAC name is 3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-5-(dimethylamino)-N-(2,4-dimethylphenyl)pentanamide.

Molecular Properties

Compound Name3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-5-(dimethylamino)-N-(2,4-dimethylphenyl)pentanamide
PubChem CID148795928
Molecular FormulaC26H41N5O
Molecular Weight439.65 g/mol
Exact Mass439.33
IUPAC Name3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-5-(dimethylamino)-N-(2,4-dimethylphenyl)pentanamide
SMILESCc1ccc(NC(=O)CC(CCN(C)C)c2nnc(CCCC(C)C)n2C2CC2)c(C)c1
InChIInChI=1S/C26H41N5O/c1-18(2)8-7-9-24-28-29-26(31(24)22-11-12-22)21(14-15-30(5)6)17-25(32)27-23-13-10-19(3)16-20(23)4/h10,13,16,18,21-22H,7-9,11-12,14-15,17H2,1-6H3,(H,27,32)
InChIKeyONBXIVCLSNNECI-UHFFFAOYSA-N
XLogP5.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.65
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2-Cyclohexylethyl)-4-Ethyl-1,2,4-Triazol-3-Yl]-N-Naphthalen-1-Yl-Propanamide
CID 118704903
(3r,4r)-4-[4-Cyclopropyl-5-[3-(2-Methylpropyl)cyclobutyl]-1,2,4-Triazol-3-Yl]-N-(2,4-Dimethylphenyl)-1-Ethanoyl-Pyrrolidine-3-Carboxamide
CID 121345502
2-(5-Cyclopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2,6-diethyl-phenyl)-acetamide
CID 855732
2,2-dimethyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 8502902
(1S,2S,4S)-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-4-hydroxycyclopentane-1-carboxamide
CID 90130762
3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 90130771
3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121345804
3-[5-(2-cyclohexylethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121345862
3-[5-(2-cyclohexylethyl)-4-(2,2-difluorocyclopropyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121345920
(3R,4S)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-methylpiperidine-3-carboxamide
CID 121346140
3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121346173
3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxypentanamide
CID 121346222

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-5-(dimethylamino)-N-(2,4-dimethylphenyl)pentanamide?
The IUPAC name of 3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-5-(dimethylamino)-N-(2,4-dimethylphenyl)pentanamide (CID 148795928) is 3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-5-(dimethylamino)-N-(2,4-dimethylphenyl)pentanamide.
What is the SMILES notation for 3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-5-(dimethylamino)-N-(2,4-dimethylphenyl)pentanamide?
The canonical SMILES for 3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-5-(dimethylamino)-N-(2,4-dimethylphenyl)pentanamide is Cc1ccc(NC(=O)CC(CCN(C)C)c2nnc(CCCC(C)C)n2C2CC2)c(C)c1.
What is the InChIKey of 3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-5-(dimethylamino)-N-(2,4-dimethylphenyl)pentanamide?
The InChIKey is ONBXIVCLSNNECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N5O/c1-18(2)8-7-9-24-28-29-26(31(24)22-11-12-22)21(14-15-30(5)6)17-25(32)27-23-13-10-19(3)16-20(23)4/h10,13,16,18,21-22H,7-9,11-12,14-15,17H2,1-6H3,(H,27,32).
What are the key properties of 3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-5-(dimethylamino)-N-(2,4-dimethylphenyl)pentanamide?
3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-5-(dimethylamino)-N-(2,4-dimethylphenyl)pentanamide has a molecular weight of 439.65 g/mol, XLogP of 5.27, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-5-(dimethylamino)-N-(2,4-dimethylphenyl)pentanamide is sourced from PubChem (CID 148795928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).