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

C15H19N3O2 — CID 16799382

IUPACN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide
SMILESCCCCC(=O)Nc1c(C)nc2cc(C)ccn2c1=O
InChIInChI=1S/C15H19N3O2/c1-4-5-6-13(19)17-14-11(3)16-12-9-10(2)7-8-18(12)15(14)20/h7-9H,4-6H2,1-3H3,(H,17,19)
InChIKeyUFHSSWQQDSXTBR-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.44
Rot. Bonds4

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

N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide (PubChem CID 16799382) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide.

Molecular Properties

Compound NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide
PubChem CID16799382
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide
SMILESCCCCC(=O)Nc1c(C)nc2cc(C)ccn2c1=O
InChIInChI=1S/C15H19N3O2/c1-4-5-6-13(19)17-14-11(3)16-12-9-10(2)7-8-18(12)15(14)20/h7-9H,4-6H2,1-3H3,(H,17,19)
InChIKeyUFHSSWQQDSXTBR-UHFFFAOYSA-N
XLogP2.44
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.44
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)pentanamide?
The IUPAC name of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide (CID 16799382) is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide.
What is the SMILES notation for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide?
The canonical SMILES for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide is CCCCC(=O)Nc1c(C)nc2cc(C)ccn2c1=O.
What is the InChIKey of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide?
The InChIKey is UFHSSWQQDSXTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-5-6-13(19)17-14-11(3)16-12-9-10(2)7-8-18(12)15(14)20/h7-9H,4-6H2,1-3H3,(H,17,19).
What are the key properties of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide?
N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide has a molecular weight of 273.34 g/mol, XLogP of 2.44, 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)pentanamide is sourced from PubChem (CID 16799382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).