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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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).