N-ethyl-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C13H15N3O2 — CID 134063418

IUPACN-ethyl-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCN(C)C(=O)c1cnc2ccc(C)cn2c1=O
InChIInChI=1S/C13H15N3O2/c1-4-15(3)12(17)10-7-14-11-6-5-9(2)8-16(11)13(10)18/h5-8H,4H2,1-3H3
InChIKeyJPLOBSFJYVIMOE-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.09
Rot. Bonds2

About N-ethyl-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-ethyl-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 134063418) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-ethyl-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID134063418
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-ethyl-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCN(C)C(=O)c1cnc2ccc(C)cn2c1=O
InChIInChI=1S/C13H15N3O2/c1-4-15(3)12(17)10-7-14-11-6-5-9(2)8-16(11)13(10)18/h5-8H,4H2,1-3H3
InChIKeyJPLOBSFJYVIMOE-UHFFFAOYSA-N
XLogP1.09
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119500073
N-cyclopropyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 134004606
7-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878724
N-(4-bromophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878735
N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878732
3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 134021810
N-[2-(furan-2-yl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110889021
N-(2-hydroxy-2-methylpropyl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111542899
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
N-(1-amino-2,3-dimethylbutan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 119605629
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 119631055
7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
CID 134048642

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-ethyl-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 134063418) is N-ethyl-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-ethyl-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCN(C)C(=O)c1cnc2ccc(C)cn2c1=O.
What is the InChIKey of N-ethyl-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is JPLOBSFJYVIMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-4-15(3)12(17)10-7-14-11-6-5-9(2)8-16(11)13(10)18/h5-8H,4H2,1-3H3.
What are the key properties of N-ethyl-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-ethyl-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134063418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).