[5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate

C21H29N5O3 — CID 154936020

IUPAC[5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate
SMILESCN(C(=O)OCc1c(-c2ccc(OC3CCCCC3)cn2)nnn1C)C1CCC1
InChIInChI=1S/C21H29N5O3/c1-25(15-7-6-8-15)21(27)28-14-19-20(23-24-26(19)2)18-12-11-17(13-22-18)29-16-9-4-3-5-10-16/h11-13,15-16H,3-10,14H2,1-2H3
InChIKeyQKYSVICJJQSIDK-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.71
Rot. Bonds6

About [5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate

[5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate (PubChem CID 154936020) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is [5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate.

Molecular Properties

Compound Name[5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate
PubChem CID154936020
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name[5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate
SMILESCN(C(=O)OCc1c(-c2ccc(OC3CCCCC3)cn2)nnn1C)C1CCC1
InChIInChI=1S/C21H29N5O3/c1-25(15-7-6-8-15)21(27)28-14-19-20(23-24-26(19)2)18-12-11-17(13-22-18)29-16-9-4-3-5-10-16/h11-13,15-16H,3-10,14H2,1-2H3
InChIKeyQKYSVICJJQSIDK-UHFFFAOYSA-N
XLogP3.71
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 155745662
3-[[6-[5-[[cyclobutylmethyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxy]bicyclo[3.1.0]hexane-6-carboxylic acid
CID 164831241
trans-(1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155009359
trans-(1S,3S)-3-[[5-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 149002041
trans-methyl (1S,3S)-3-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 155668059
[5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(1-propylcyclopropyl)carbamate
CID 135379842
trans-(1S,3S)-3-[[6-[1-methyl-5-(2-oxo-2-propoxyethyl)triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 160663493
[4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate
CID 175877099
trans-(1S,5S)-3-[[4-[5-[(1R,3R)-3-carboxycyclohexyl]oxy-6-methyl-2-pyridinyl]-5-[[[cyclobutylmethyl(methyl)amino]-hydroxymethoxy]methyl]triazol-1-yl]methyl]-5-[[6-[1-[[(3S,5S)-3-carboxy-5-[[2-methyl-6-[1-methyl-5-[[methyl-[(1R)-1-phenylethyl]carbamoyl]oxymethyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexyl]methyl]-5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 146579042
trans-(1S,3S)-3-[[6-[5-[(cyclopentyloxycarbonylamino)methyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 138719129
3-[4-[1-methyl-5-[[methyl(pentan-2-yl)carbamoyl]oxymethyl]triazol-4-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 146440877
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(1-fluoro-2-methylpropan-2-yl)-N-methylcarbamate
CID 135379546

Frequently Asked Questions

What is the IUPAC name of [5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate?
The IUPAC name of [5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate (CID 154936020) is [5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate.
What is the SMILES notation for [5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate?
The canonical SMILES for [5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate is CN(C(=O)OCc1c(-c2ccc(OC3CCCCC3)cn2)nnn1C)C1CCC1.
What is the InChIKey of [5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate?
The InChIKey is QKYSVICJJQSIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-25(15-7-6-8-15)21(27)28-14-19-20(23-24-26(19)2)18-12-11-17(13-22-18)29-16-9-4-3-5-10-16/h11-13,15-16H,3-10,14H2,1-2H3.
What are the key properties of [5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate?
[5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate has a molecular weight of 399.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate is sourced from PubChem (CID 154936020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).