3-[(3-ethyl-2-pyridinyl)methylamino]cyclopent-2-en-1-one

C13H16N2O — CID 104788661

IUPAC3-[(3-ethyl-2-pyridinyl)methylamino]cyclopent-2-en-1-one
SMILESCCc1cccnc1CNC1=CC(=O)CC1
InChIInChI=1S/C13H16N2O/c1-2-10-4-3-7-14-13(10)9-15-11-5-6-12(16)8-11/h3-4,7-8,15H,2,5-6,9H2,1H3
InChIKeyVZWLAVOUMVCCBV-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.98
Rot. Bonds4

About 3-[(3-ethyl-2-pyridinyl)methylamino]cyclopent-2-en-1-one

3-[(3-ethyl-2-pyridinyl)methylamino]cyclopent-2-en-1-one (PubChem CID 104788661) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[(3-ethyl-2-pyridinyl)methylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(3-ethyl-2-pyridinyl)methylamino]cyclopent-2-en-1-one
PubChem CID104788661
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-[(3-ethyl-2-pyridinyl)methylamino]cyclopent-2-en-1-one
SMILESCCc1cccnc1CNC1=CC(=O)CC1
InChIInChI=1S/C13H16N2O/c1-2-10-4-3-7-14-13(10)9-15-11-5-6-12(16)8-11/h3-4,7-8,15H,2,5-6,9H2,1H3
InChIKeyVZWLAVOUMVCCBV-UHFFFAOYSA-N
XLogP1.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3-ethyl-2-pyridinyl)methylamino]cyclopent-2-en-1-one 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-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine
CID 114600732
N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline
CID 82739933
2,3-diethylpyridine
CID 14747123
N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 82739373
2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136976617
N-[(3-ethyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82740111
N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114786832
N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 82739102
N-[(3-ethyl-2-pyridinyl)methyl]-2-methylpyridin-4-amine
CID 113482648
2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 113483486
5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 82748895
1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrazin-2-one
CID 82740294

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-2-pyridinyl)methylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(3-ethyl-2-pyridinyl)methylamino]cyclopent-2-en-1-one (CID 104788661) is 3-[(3-ethyl-2-pyridinyl)methylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(3-ethyl-2-pyridinyl)methylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(3-ethyl-2-pyridinyl)methylamino]cyclopent-2-en-1-one is CCc1cccnc1CNC1=CC(=O)CC1.
What is the InChIKey of 3-[(3-ethyl-2-pyridinyl)methylamino]cyclopent-2-en-1-one?
The InChIKey is VZWLAVOUMVCCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-10-4-3-7-14-13(10)9-15-11-5-6-12(16)8-11/h3-4,7-8,15H,2,5-6,9H2,1H3.
What are the key properties of 3-[(3-ethyl-2-pyridinyl)methylamino]cyclopent-2-en-1-one?
3-[(3-ethyl-2-pyridinyl)methylamino]cyclopent-2-en-1-one has a molecular weight of 216.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-2-pyridinyl)methylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).