N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide

C16H21N3O2 — CID 16799380

IUPACN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1c(C)nc2cc(C)ccn2c1=O
InChIInChI=1S/C16H21N3O2/c1-5-12(6-2)15(20)18-14-11(4)17-13-9-10(3)7-8-19(13)16(14)21/h7-9,12H,5-6H2,1-4H3,(H,18,20)
InChIKeyHJFFMDMJQWOWPJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.69
Rot. Bonds4

About N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide

N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide (PubChem CID 16799380) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide
PubChem CID16799380
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1c(C)nc2cc(C)ccn2c1=O
InChIInChI=1S/C16H21N3O2/c1-5-12(6-2)15(20)18-14-11(4)17-13-9-10(3)7-8-19(13)16(14)21/h7-9,12H,5-6H2,1-4H3,(H,18,20)
InChIKeyHJFFMDMJQWOWPJ-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

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Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide?
The IUPAC name of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide (CID 16799380) is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide?
The canonical SMILES for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1c(C)nc2cc(C)ccn2c1=O.
What is the InChIKey of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide?
The InChIKey is HJFFMDMJQWOWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-12(6-2)15(20)18-14-11(4)17-13-9-10(3)7-8-19(13)16(14)21/h7-9,12H,5-6H2,1-4H3,(H,18,20).
What are the key properties of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide?
N-(2,8-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-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide is sourced from PubChem (CID 16799380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).