[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

C17H21N5O4 — CID 47091257

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCc1nnc2ccc(C(=O)OCC(=O)NC(=O)NC3CCCCC3)cn12
InChIInChI=1S/C17H21N5O4/c1-11-20-21-14-8-7-12(9-22(11)14)16(24)26-10-15(23)19-17(25)18-13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3,(H2,18,19,23,25)
InChIKeyPUYDTMSWHHKXES-UHFFFAOYSA-N
MW359.39 g/mol
LogP1.35
Rot. Bonds4

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (PubChem CID 47091257) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
PubChem CID47091257
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCc1nnc2ccc(C(=O)OCC(=O)NC(=O)NC3CCCCC3)cn12
InChIInChI=1S/C17H21N5O4/c1-11-20-21-14-8-7-12(9-22(11)14)16(24)26-10-15(23)19-17(25)18-13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3,(H2,18,19,23,25)
InChIKeyPUYDTMSWHHKXES-UHFFFAOYSA-N
XLogP1.35
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate with MolForge

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Related Compounds

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2634322
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate
CID 7211666
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2588523
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558614
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2634417
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 4784630
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate
CID 8708768
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 9111860
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 16528590
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4022244
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413621
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 8013227

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (CID 47091257) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is Cc1nnc2ccc(C(=O)OCC(=O)NC(=O)NC3CCCCC3)cn12.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The InChIKey is PUYDTMSWHHKXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-11-20-21-14-8-7-12(9-22(11)14)16(24)26-10-15(23)19-17(25)18-13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3,(H2,18,19,23,25).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate has a molecular weight of 359.39 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is sourced from PubChem (CID 47091257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).