[2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate

C14H17N3O4 — CID 9413621

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1)NC(=O)NC1CCCC1
InChIInChI=1S/C14H17N3O4/c18-12(17-14(20)16-11-5-1-2-6-11)9-21-13(19)10-4-3-7-15-8-10/h3-4,7-8,11H,1-2,5-6,9H2,(H2,16,17,18,20)
InChIKeyDGRASMMAEGRMAX-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.01
Rot. Bonds4

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 9413621) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
PubChem CID9413621
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1)NC(=O)NC1CCCC1
InChIInChI=1S/C14H17N3O4/c18-12(17-14(20)16-11-5-1-2-6-11)9-21-13(19)10-4-3-7-15-8-10/h3-4,7-8,11H,1-2,5-6,9H2,(H2,16,17,18,20)
InChIKeyDGRASMMAEGRMAX-UHFFFAOYSA-N
XLogP1.01
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate 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

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2634322
(2-benzamido-2-oxoethyl) pyridine-3-carboxylate
CID 9413804
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010356
[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] pyridine-3-carboxylate
CID 11941095
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 8836797
N-cyclopentylpyridine-3-carboxamide
CID 805532
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate
CID 7838563
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate
CID 7211666
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2634417
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 8013227
N-[2-(cyclopentylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705401
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795325

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate (CID 9413621) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate is O=C(COC(=O)c1cccnc1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is DGRASMMAEGRMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c18-12(17-14(20)16-11-5-1-2-6-11)9-21-13(19)10-4-3-7-15-8-10/h3-4,7-8,11H,1-2,5-6,9H2,(H2,16,17,18,20).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 9413621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).