1-ethyl-5-(pentylamino)pyridin-2-one

C12H20N2O — CID 60942788

IUPAC1-ethyl-5-(pentylamino)pyridin-2-one
SMILESCCCCCNc1ccc(=O)n(CC)c1
InChIInChI=1S/C12H20N2O/c1-3-5-6-9-13-11-7-8-12(15)14(4-2)10-11/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyWUARPZQDKMHDOL-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.47
Rot. Bonds6

About 1-ethyl-5-(pentylamino)pyridin-2-one

1-ethyl-5-(pentylamino)pyridin-2-one (PubChem CID 60942788) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-ethyl-5-(pentylamino)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-(pentylamino)pyridin-2-one
PubChem CID60942788
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-ethyl-5-(pentylamino)pyridin-2-one
SMILESCCCCCNc1ccc(=O)n(CC)c1
InChIInChI=1S/C12H20N2O/c1-3-5-6-9-13-11-7-8-12(15)14(4-2)10-11/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyWUARPZQDKMHDOL-UHFFFAOYSA-N
XLogP2.47
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-aminoethylamino)-1-ethylpyridin-2-one
CID 130588922
5-(heptylamino)-1-methylpyridin-2-one
CID 60930783
1-ethyl-5-(prop-2-ynylamino)pyridin-2-one
CID 63950885
1-ethyl-5-(heptan-3-ylamino)pyridin-2-one
CID 63944956
1-ethyl-5-[(4-ethylphenyl)methylamino]pyridin-2-one
CID 54864000
5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one
CID 54864001
1-ethyl-N-pentylpyrrol-3-amine
CID 172688744
5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one
CID 54863810
1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one
CID 66410985
5-[(1-tert-butyltriazol-4-yl)methylamino]-1-ethylpyridin-2-one
CID 103398925
1-ethyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
CID 114555517
1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one
CID 79707302

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(pentylamino)pyridin-2-one?
The IUPAC name of 1-ethyl-5-(pentylamino)pyridin-2-one (CID 60942788) is 1-ethyl-5-(pentylamino)pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-(pentylamino)pyridin-2-one?
The canonical SMILES for 1-ethyl-5-(pentylamino)pyridin-2-one is CCCCCNc1ccc(=O)n(CC)c1.
What is the InChIKey of 1-ethyl-5-(pentylamino)pyridin-2-one?
The InChIKey is WUARPZQDKMHDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-5-6-9-13-11-7-8-12(15)14(4-2)10-11/h7-8,10,13H,3-6,9H2,1-2H3.
What are the key properties of 1-ethyl-5-(pentylamino)pyridin-2-one?
1-ethyl-5-(pentylamino)pyridin-2-one has a molecular weight of 208.30 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(pentylamino)pyridin-2-one is sourced from PubChem (CID 60942788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).