[5-(5-formyl-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-propylcarbamate

C16H21N5O3 — CID 169324581

IUPAC[5-(5-formyl-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-propylcarbamate
SMILESCCCN(C)C(=O)OCc1c(-c2ccc(C=O)c(C)n2)nnn1C
InChIInChI=1S/C16H21N5O3/c1-5-8-20(3)16(23)24-10-14-15(18-19-21(14)4)13-7-6-12(9-22)11(2)17-13/h6-7,9H,5,8,10H2,1-4H3
InChIKeySEBYADUDYPARMM-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.98
Rot. Bonds6

About [5-(5-formyl-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-propylcarbamate

[5-(5-formyl-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-propylcarbamate (PubChem CID 169324581) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is [5-(5-formyl-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-propylcarbamate.

Molecular Properties

Compound Name[5-(5-formyl-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-propylcarbamate
PubChem CID169324581
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name[5-(5-formyl-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-propylcarbamate
SMILESCCCN(C)C(=O)OCc1c(-c2ccc(C=O)c(C)n2)nnn1C
InChIInChI=1S/C16H21N5O3/c1-5-8-20(3)16(23)24-10-14-15(18-19-21(14)4)13-7-6-12(9-22)11(2)17-13/h6-7,9H,5,8,10H2,1-4H3
InChIKeySEBYADUDYPARMM-UHFFFAOYSA-N
XLogP1.98
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(1R,2S,4S,5S)-4-[[2-methyl-6-[1-methyl-5-[[methyl(propyl)carbamoyl]oxymethyl]triazol-4-yl]-3-pyridinyl]oxy]bicyclo[3.1.0]hexane-2-carboxylic acid
CID 155424683
potassium trans-(1S,3S)-3-[[2-methyl-6-[1-methyl-5-[[methyl(propyl)carbamoyl]oxymethyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 165157869
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(3-fluorobutyl)-N-methylcarbamate
CID 154935891
cis-(1S,3R)-3-[[2-methyl-6-[1-methyl-5-[[methyl(pentyl)carbamoyl]oxymethyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;cis-(1R,3S)-3-[[2-methyl-6-[1-methyl-5-[[methyl(pentyl)carbamoyl]oxymethyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[2-methyl-6-[1-methyl-5-[[methyl(pentyl)carbamoyl]oxymethyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1R,3R)-3-[[2-methyl-6-[1-methyl-5-[[methyl(pentyl)carbamoyl]oxymethyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 163955599
2-[1-[2-ethyl-6-[1-methyl-5-[[methyl(propyl)carbamoyl]oxymethyl]triazol-4-yl]-3-pyridinyl]pyrrolidin-3-yl]butanoic acid
CID 174213908
2-[(3S)-1-[2-ethyl-6-[1-methyl-5-[[methyl(propyl)carbamoyl]oxymethyl]triazol-4-yl]-3-pyridinyl]pyrrolidin-3-yl]butanoic acid
CID 174213905
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-ethyl-N-propylcarbamate
CID 154935976
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(3-fluoro-3-methylbutyl)-N-methylcarbamate
CID 154936017
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(2-methylpentan-2-yl)carbamate
CID 145423839
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(1-ethylcyclopropyl)-N-methylcarbamate
CID 154936276
propan-2-yl 2-[(1S,3S)-3-[[6-[5-[[cyclobutylmethyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopentyl]acetate
CID 156900170
ethyl (2S)-2-[[6-[5-[[cyclobutylmethyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]bicyclo[3.1.0]hexane-6-carboxylate
CID 155745512

Frequently Asked Questions

What is the IUPAC name of [5-(5-formyl-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-propylcarbamate?
The IUPAC name of [5-(5-formyl-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-propylcarbamate (CID 169324581) is [5-(5-formyl-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-propylcarbamate.
What is the SMILES notation for [5-(5-formyl-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-propylcarbamate?
The canonical SMILES for [5-(5-formyl-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-propylcarbamate is CCCN(C)C(=O)OCc1c(-c2ccc(C=O)c(C)n2)nnn1C.
What is the InChIKey of [5-(5-formyl-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-propylcarbamate?
The InChIKey is SEBYADUDYPARMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-5-8-20(3)16(23)24-10-14-15(18-19-21(14)4)13-7-6-12(9-22)11(2)17-13/h6-7,9H,5,8,10H2,1-4H3.
What are the key properties of [5-(5-formyl-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-propylcarbamate?
[5-(5-formyl-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-propylcarbamate has a molecular weight of 331.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-formyl-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-propylcarbamate is sourced from PubChem (CID 169324581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).