2-chloro-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide

C12H12ClN3O2 — CID 82091833

IUPAC2-chloro-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide
SMILESCc1ccc2nc(C)c(NC(=O)CCl)c(=O)n2c1
InChIInChI=1S/C12H12ClN3O2/c1-7-3-4-9-14-8(2)11(15-10(17)5-13)12(18)16(9)6-7/h3-4,6H,5H2,1-2H3,(H,15,17)
InChIKeyQVYDCVYPMANWPX-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.49
Rot. Bonds2

About 2-chloro-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide

2-chloro-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide (PubChem CID 82091833) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-chloro-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide
PubChem CID82091833
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-chloro-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide
SMILESCc1ccc2nc(C)c(NC(=O)CCl)c(=O)n2c1
InChIInChI=1S/C12H12ClN3O2/c1-7-3-4-9-14-8(2)11(15-10(17)5-13)12(18)16(9)6-7/h3-4,6H,5H2,1-2H3,(H,15,17)
InChIKeyQVYDCVYPMANWPX-UHFFFAOYSA-N
XLogP1.49
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12527404
3-(chloromethyl)-2,6-dimethylimidazo[1,2-a]pyridine;hydrochloride
CID 82530392
2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 58357524
ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
CID 6622036
2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide
CID 146109431
2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 24862942
2-amino-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 83832171
3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 154321070
N-(3-chlorophenyl)-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 84818993
N-(4-ethylphenyl)-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 84818931
2-chloro-N-(5-methylpyrimidin-2-yl)acetamide
CID 167977680
N-(4-methoxyphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256725

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide (CID 82091833) is 2-chloro-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide is Cc1ccc2nc(C)c(NC(=O)CCl)c(=O)n2c1.
What is the InChIKey of 2-chloro-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is QVYDCVYPMANWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-7-3-4-9-14-8(2)11(15-10(17)5-13)12(18)16(9)6-7/h3-4,6H,5H2,1-2H3,(H,15,17).
What are the key properties of 2-chloro-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide?
2-chloro-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 265.70 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 82091833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).