N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-dimethylbutanamide

C16H21N3O2 — CID 16835719

IUPACN-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-dimethylbutanamide
SMILESCc1ccc2nc(C)c(NC(=O)CC(C)(C)C)c(=O)n2c1
InChIInChI=1S/C16H21N3O2/c1-10-6-7-12-17-11(2)14(15(21)19(12)9-10)18-13(20)8-16(3,4)5/h6-7,9H,8H2,1-5H3,(H,18,20)
InChIKeyXGDPEYSNOAOWRJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.69
Rot. Bonds2

About N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-dimethylbutanamide

N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-dimethylbutanamide (PubChem CID 16835719) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-dimethylbutanamide
PubChem CID16835719
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-dimethylbutanamide
SMILESCc1ccc2nc(C)c(NC(=O)CC(C)(C)C)c(=O)n2c1
InChIInChI=1S/C16H21N3O2/c1-10-6-7-12-17-11(2)14(15(21)19(12)9-10)18-13(20)8-16(3,4)5/h6-7,9H,8H2,1-5H3,(H,18,20)
InChIKeyXGDPEYSNOAOWRJ-UHFFFAOYSA-N
XLogP2.69
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-dimethylbutanamide (CID 16835719) is N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-dimethylbutanamide is Cc1ccc2nc(C)c(NC(=O)CC(C)(C)C)c(=O)n2c1.
What is the InChIKey of N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-dimethylbutanamide?
The InChIKey is XGDPEYSNOAOWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-6-7-12-17-11(2)14(15(21)19(12)9-10)18-13(20)8-16(3,4)5/h6-7,9H,8H2,1-5H3,(H,18,20).
What are the key properties of N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-dimethylbutanamide?
N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-dimethylbutanamide has a molecular weight of 287.36 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 16835719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).