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

C14H17N3O2 — CID 7216999

IUPAC2,2-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)C(C)(C)C
InChIInChI=1S/C14H17N3O2/c1-9-11(16-13(19)14(2,3)4)12(18)17-8-6-5-7-10(17)15-9/h5-8H,1-4H3,(H,16,19)
InChIKeyCPWROQMLJZMDGS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.99
Rot. Bonds1

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

2,2-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide (PubChem CID 7216999) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
PubChem CID7216999
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2,2-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)C(C)(C)C
InChIInChI=1S/C14H17N3O2/c1-9-11(16-13(19)14(2,3)4)12(18)17-8-6-5-7-10(17)15-9/h5-8H,1-4H3,(H,16,19)
InChIKeyCPWROQMLJZMDGS-UHFFFAOYSA-N
XLogP1.99
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide (CID 7216999) is 2,2-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide is Cc1nc2ccccn2c(=O)c1NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
The InChIKey is CPWROQMLJZMDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-11(16-13(19)14(2,3)4)12(18)17-8-6-5-7-10(17)15-9/h5-8H,1-4H3,(H,16,19).
What are the key properties of 2,2-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
2,2-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide has a molecular weight of 259.31 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 7216999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).