ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate

C16H23N3O2 — CID 113024981

IUPACethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCCC2=CCCCC2)cn1
InChIInChI=1S/C16H23N3O2/c1-2-21-16(20)19-15-9-8-14(12-18-15)17-11-10-13-6-4-3-5-7-13/h6,8-9,12,17H,2-5,7,10-11H2,1H3,(H,18,19,20)
InChIKeyNVYFJOBMLNNMHQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.95
Rot. Bonds6

About ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate

ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate (PubChem CID 113024981) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate
PubChem CID113024981
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Nameethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCCC2=CCCCC2)cn1
InChIInChI=1S/C16H23N3O2/c1-2-21-16(20)19-15-9-8-14(12-18-15)17-11-10-13-6-4-3-5-7-13/h6,8-9,12,17H,2-5,7,10-11H2,1H3,(H,18,19,20)
InChIKeyNVYFJOBMLNNMHQ-UHFFFAOYSA-N
XLogP3.95
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate 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

N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide
CID 113010230
N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
CID 113024984
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide
CID 113010234
N-[2-(cyclohexen-1-yl)ethyl]-5-hydrazinylpyridin-2-amine
CID 82055043
5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109183775
1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea
CID 113010275
ethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate
CID 113028219
N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109183801
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide
CID 113010267
N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109181397
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183785
6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide
CID 109152727

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate (CID 113024981) is ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCCC2=CCCCC2)cn1.
What is the InChIKey of ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate?
The InChIKey is NVYFJOBMLNNMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-21-16(20)19-15-9-8-14(12-18-15)17-11-10-13-6-4-3-5-7-13/h6,8-9,12,17H,2-5,7,10-11H2,1H3,(H,18,19,20).
What are the key properties of ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate?
ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate has a molecular weight of 289.38 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate is sourced from PubChem (CID 113024981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).