1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-one

C12H12ClN3O — CID 63172351

IUPAC1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-one
SMILESCc1cccn(Cc2nc(N)ccc2Cl)c1=O
InChIInChI=1S/C12H12ClN3O/c1-8-3-2-6-16(12(8)17)7-10-9(13)4-5-11(14)15-10/h2-6H,7H2,1H3,(H2,14,15)
InChIKeyKCVSKKSRPHDNSZ-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.84
Rot. Bonds2

About 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-one

1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-one (PubChem CID 63172351) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-one
PubChem CID63172351
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-one
SMILESCc1cccn(Cc2nc(N)ccc2Cl)c1=O
InChIInChI=1S/C12H12ClN3O/c1-8-3-2-6-16(12(8)17)7-10-9(13)4-5-11(14)15-10/h2-6H,7H2,1H3,(H2,14,15)
InChIKeyKCVSKKSRPHDNSZ-UHFFFAOYSA-N
XLogP1.84
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-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

1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrimidine-2,4-dione
CID 55127737
3-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66342907
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66328744
1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylpyridin-2-one
CID 116519212
3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one
CID 62886832
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79181278
1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-3-methylpyridin-2-one
CID 63220626
3-[(6-amino-3-chloro-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione
CID 63810238
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 55127690
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one
CID 102663284
5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridin-2-amine
CID 62887555
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one
CID 62885269

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-one (CID 63172351) is 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-one is Cc1cccn(Cc2nc(N)ccc2Cl)c1=O.
What is the InChIKey of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-one?
The InChIKey is KCVSKKSRPHDNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8-3-2-6-16(12(8)17)7-10-9(13)4-5-11(14)15-10/h2-6H,7H2,1H3,(H2,14,15).
What are the key properties of 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-one?
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-one has a molecular weight of 249.70 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-one is sourced from PubChem (CID 63172351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).