5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one

C12H13ClN2O2 — CID 54863971

IUPAC5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one
SMILESCCn1cc(NCc2ccc(Cl)o2)ccc1=O
InChIInChI=1S/C12H13ClN2O2/c1-2-15-8-9(3-6-12(15)16)14-7-10-4-5-11(13)17-10/h3-6,8,14H,2,7H2,1H3
InChIKeyVQQIQDHXZSHLGO-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.73
Rot. Bonds4

About 5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one

5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one (PubChem CID 54863971) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one
PubChem CID54863971
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one
SMILESCCn1cc(NCc2ccc(Cl)o2)ccc1=O
InChIInChI=1S/C12H13ClN2O2/c1-2-15-8-9(3-6-12(15)16)14-7-10-4-5-11(13)17-10/h3-6,8,14H,2,7H2,1H3
InChIKeyVQQIQDHXZSHLGO-UHFFFAOYSA-N
XLogP2.73
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-[(4-ethylphenyl)methylamino]pyridin-2-one
CID 54864000
5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one
CID 60942932
5-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]furan-3-carboxylic acid
CID 104608673
5-[(5-ethylfuran-2-yl)methylamino]-1-methylpyridin-2-one
CID 62345999
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride
CID 119723761
1-ethyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one
CID 54864112
5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one
CID 54864001
1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyridin-2-one
CID 43733450
5-(2-aminoethylamino)-1-ethylpyridin-2-one
CID 130588922
1-ethyl-5-(prop-2-ynylamino)pyridin-2-one
CID 63950885
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-ethylpyridin-2-one
CID 79579074
1-ethyl-5-(pentylamino)pyridin-2-one
CID 60942788

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one?
The IUPAC name of 5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one (CID 54863971) is 5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one.
What is the SMILES notation for 5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one?
The canonical SMILES for 5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one is CCn1cc(NCc2ccc(Cl)o2)ccc1=O.
What is the InChIKey of 5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one?
The InChIKey is VQQIQDHXZSHLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-2-15-8-9(3-6-12(15)16)14-7-10-4-5-11(13)17-10/h3-6,8,14H,2,7H2,1H3.
What are the key properties of 5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one?
5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one has a molecular weight of 252.70 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one is sourced from PubChem (CID 54863971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).