N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide

C16H21N3O2 — CID 18566209

IUPACN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1c(C)nc2c(C)cccn2c1=O
InChIInChI=1S/C16H21N3O2/c1-5-12(6-2)15(20)18-13-11(4)17-14-10(3)8-7-9-19(14)16(13)21/h7-9,12H,5-6H2,1-4H3,(H,18,20)
InChIKeySMTZMVPEHQGYHP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.69
Rot. Bonds4

About N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide

N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide (PubChem CID 18566209) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide
PubChem CID18566209
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1c(C)nc2c(C)cccn2c1=O
InChIInChI=1S/C16H21N3O2/c1-5-12(6-2)15(20)18-13-11(4)17-14-10(3)8-7-9-19(14)16(13)21/h7-9,12H,5-6H2,1-4H3,(H,18,20)
InChIKeySMTZMVPEHQGYHP-UHFFFAOYSA-N
XLogP2.69
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide 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

4,9-dimethyl-N-(3-methylbutyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 3329879
N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}pentanamide
CID 7217027
N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide
CID 16799362
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)isobutyramide
CID 18566117
2-cyclopentyl-N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acetamide
CID 7217022
N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}cyclohexanecarboxamide
CID 6950001
2,2-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
CID 7216999
3,3-dimethyl-N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)butanamide
CID 7217001
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)cyclopropanecarboxamide
CID 7217002
3-Cyclohexyl-N-{2-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-3-YL}propanamide
CID 7217026
N-{2-Methyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-3-YL}-2-propylpentanamide
CID 7217028
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide
CID 16799358

Frequently Asked Questions

What is the IUPAC name of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide?
The IUPAC name of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide (CID 18566209) is N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide?
The canonical SMILES for N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1c(C)nc2c(C)cccn2c1=O.
What is the InChIKey of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide?
The InChIKey is SMTZMVPEHQGYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-12(6-2)15(20)18-13-11(4)17-14-10(3)8-7-9-19(14)16(13)21/h7-9,12H,5-6H2,1-4H3,(H,18,20).
What are the key properties of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide?
N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide has a molecular weight of 287.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide is sourced from PubChem (CID 18566209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).