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

C15H19N3O2 — CID 7217001

IUPAC3,3-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C15H19N3O2/c1-10-13(17-12(19)9-15(2,3)4)14(20)18-8-6-5-7-11(18)16-10/h5-8H,9H2,1-4H3,(H,17,19)
InChIKeyVJNKYGZETTYKFH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.38
Rot. Bonds2

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

3,3-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide (PubChem CID 7217001) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide
PubChem CID7217001
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3,3-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C15H19N3O2/c1-10-13(17-12(19)9-15(2,3)4)14(20)18-8-6-5-7-11(18)16-10/h5-8H,9H2,1-4H3,(H,17,19)
InChIKeyVJNKYGZETTYKFH-UHFFFAOYSA-N
XLogP2.38
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide (CID 7217001) is 3,3-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide is Cc1nc2ccccn2c(=O)c1NC(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide?
The InChIKey is VJNKYGZETTYKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-13(17-12(19)9-15(2,3)4)14(20)18-8-6-5-7-11(18)16-10/h5-8H,9H2,1-4H3,(H,17,19).
What are the key properties of 3,3-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide?
3,3-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide has a molecular weight of 273.34 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide is sourced from PubChem (CID 7217001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).