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

C12H11ClN2O — CID 82476056

IUPAC4-amino-1-[(4-chlorophenyl)methyl]pyridin-2-one
SMILESNc1ccn(Cc2ccc(Cl)cc2)c(=O)c1
InChIInChI=1S/C12H11ClN2O/c13-10-3-1-9(2-4-10)8-15-6-5-11(14)7-12(15)16/h1-7H,8,14H2
InChIKeyAOXLBLYQFLTMGX-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.13
Rot. Bonds2

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

4-amino-1-[(4-chlorophenyl)methyl]pyridin-2-one (PubChem CID 82476056) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-amino-1-[(4-chlorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[(4-chlorophenyl)methyl]pyridin-2-one
PubChem CID82476056
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-amino-1-[(4-chlorophenyl)methyl]pyridin-2-one
SMILESNc1ccn(Cc2ccc(Cl)cc2)c(=O)c1
InChIInChI=1S/C12H11ClN2O/c13-10-3-1-9(2-4-10)8-15-6-5-11(14)7-12(15)16/h1-7H,8,14H2
InChIKeyAOXLBLYQFLTMGX-UHFFFAOYSA-N
XLogP2.13
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one
CID 82484402
4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one
CID 82480154
1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one
CID 62962113
1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one
CID 82032086
3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione
CID 106934163
4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 70237327
2-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyridin-4-one
CID 122663097
4-amino-1-(cyclopropylmethyl)pyridin-2-one;hydrochloride
CID 155822557
1-[(4-aminophenyl)methyl]-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 94758175
4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one
CID 171485671
1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-one
CID 82032049
1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82918341

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(4-chlorophenyl)methyl]pyridin-2-one?
The IUPAC name of 4-amino-1-[(4-chlorophenyl)methyl]pyridin-2-one (CID 82476056) is 4-amino-1-[(4-chlorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[(4-chlorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 4-amino-1-[(4-chlorophenyl)methyl]pyridin-2-one is Nc1ccn(Cc2ccc(Cl)cc2)c(=O)c1.
What is the InChIKey of 4-amino-1-[(4-chlorophenyl)methyl]pyridin-2-one?
The InChIKey is AOXLBLYQFLTMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-10-3-1-9(2-4-10)8-15-6-5-11(14)7-12(15)16/h1-7H,8,14H2.
What are the key properties of 4-amino-1-[(4-chlorophenyl)methyl]pyridin-2-one?
4-amino-1-[(4-chlorophenyl)methyl]pyridin-2-one has a molecular weight of 234.69 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(4-chlorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 82476056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).