3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one

C17H19ClN2O — CID 82526577

IUPAC3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one
SMILESNC(c1ccc(Cl)cc1)c1cccn(C2CCCC2)c1=O
InChIInChI=1S/C17H19ClN2O/c18-13-9-7-12(8-10-13)16(19)15-6-3-11-20(17(15)21)14-4-1-2-5-14/h3,6-11,14,16H,1-2,4-5,19H2
InChIKeyCMFDHWUWWVPQQN-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.66
Rot. Bonds3

About 3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one

3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one (PubChem CID 82526577) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one.

Molecular Properties

Compound Name3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one
PubChem CID82526577
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one
SMILESNC(c1ccc(Cl)cc1)c1cccn(C2CCCC2)c1=O
InChIInChI=1S/C17H19ClN2O/c18-13-9-7-12(8-10-13)16(19)15-6-3-11-20(17(15)21)14-4-1-2-5-14/h3,6-11,14,16H,1-2,4-5,19H2
InChIKeyCMFDHWUWWVPQQN-UHFFFAOYSA-N
XLogP3.66
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one
CID 82527052
3-[amino-(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyridin-2-one
CID 82526521
3-(chloromethyl)-1-cyclopentylpyridin-2-one
CID 82526593
3-(aminomethyl)-1-cyclopentylpyridin-2-one
CID 82186493
3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526360
3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one
CID 82527055
3-amino-1-cyclopropylpyridin-2-one
CID 82466689
1-[(3S)-oxan-3-yl]-3-propan-2-ylpyridin-2-one
CID 146635158
1-cyclopentyl-3-[(cyclopropylamino)methyl]pyridin-2-one
CID 82526601
1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride
CID 70588854
(4-chlorophenyl)-(2-iodophenyl)methanamine
CID 24707466
1-cyclohexylpyrrole-2-carboxamide
CID 150262171

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one?
The IUPAC name of 3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one (CID 82526577) is 3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one.
What is the SMILES notation for 3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one?
The canonical SMILES for 3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one is NC(c1ccc(Cl)cc1)c1cccn(C2CCCC2)c1=O.
What is the InChIKey of 3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one?
The InChIKey is CMFDHWUWWVPQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-13-9-7-12(8-10-13)16(19)15-6-3-11-20(17(15)21)14-4-1-2-5-14/h3,6-11,14,16H,1-2,4-5,19H2.
What are the key properties of 3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one?
3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one has a molecular weight of 302.81 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one is sourced from PubChem (CID 82526577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).