N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide

C23H29N5O — CID 161109487

IUPACN-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide
SMILESCCC(CC)CN(CCc1ccncc1)C(=O)n1cc(-c2ccc(C)cc2)nn1
InChIInChI=1S/C23H29N5O/c1-4-19(5-2)16-27(15-12-20-10-13-24-14-11-20)23(29)28-17-22(25-26-28)21-8-6-18(3)7-9-21/h6-11,13-14,17,19H,4-5,12,15-16H2,1-3H3
InChIKeyKVIKNRMDPAIUQS-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.60
Rot. Bonds8

About N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide

N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide (PubChem CID 161109487) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide
PubChem CID161109487
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide
SMILESCCC(CC)CN(CCc1ccncc1)C(=O)n1cc(-c2ccc(C)cc2)nn1
InChIInChI=1S/C23H29N5O/c1-4-19(5-2)16-27(15-12-20-10-13-24-14-11-20)23(29)28-17-22(25-26-28)21-8-6-18(3)7-9-21/h6-11,13-14,17,19H,4-5,12,15-16H2,1-3H3
InChIKeyKVIKNRMDPAIUQS-UHFFFAOYSA-N
XLogP4.60
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-N-(2-phenylethyl)-4-[4-(trifluoromethoxy)phenyl]triazole-1-carboxamide
CID 53364517
N,2-diethyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 78896115
butyl 2-[4-(4-methylphenyl)triazol-1-yl]prop-2-enoate
CID 122367383
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 62613135
N-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391082
1-ethyl-3-(4-methylphenyl)sulfonyl-1-(2-pyridin-4-ylethyl)urea
CID 110755015
1-ethyl-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-1-(2-pyridin-4-ylethyl)urea
CID 108872612
2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid
CID 60891884
N'-ethyl-N'-(2-pyridin-4-ylethyl)-N-(2,4,6-trimethylphenyl)oxamide
CID 108512257
hex-5-ynyl N-[5-[2-phenylethyl-[4-[4-(trifluoromethoxy)phenyl]triazole-1-carbonyl]amino]pentyl]carbamate
CID 72712446
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride
CID 120670650

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide?
The IUPAC name of N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide (CID 161109487) is N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide is CCC(CC)CN(CCc1ccncc1)C(=O)n1cc(-c2ccc(C)cc2)nn1.
What is the InChIKey of N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide?
The InChIKey is KVIKNRMDPAIUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-4-19(5-2)16-27(15-12-20-10-13-24-14-11-20)23(29)28-17-22(25-26-28)21-8-6-18(3)7-9-21/h6-11,13-14,17,19H,4-5,12,15-16H2,1-3H3.
What are the key properties of N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide?
N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide is sourced from PubChem (CID 161109487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).