N-(2,2-dimethylpropyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C15H19N3O2 — CID 3079278

IUPACN-(2,2-dimethylpropyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)NCC(C)(C)C)c(=O)n12
InChIInChI=1S/C15H19N3O2/c1-10-6-5-7-12-16-8-11(14(20)18(10)12)13(19)17-9-15(2,3)4/h5-8H,9H2,1-4H3,(H,17,19)
InChIKeyIVAZQYHBABVRAE-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.78
Rot. Bonds2

About N-(2,2-dimethylpropyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(2,2-dimethylpropyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3079278) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3079278
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2,2-dimethylpropyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)NCC(C)(C)C)c(=O)n12
InChIInChI=1S/C15H19N3O2/c1-10-6-5-7-12-16-8-11(14(20)18(10)12)13(19)17-9-15(2,3)4/h5-8H,9H2,1-4H3,(H,17,19)
InChIKeyIVAZQYHBABVRAE-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 3079278) is N-(2,2-dimethylpropyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc2ncc(C(=O)NCC(C)(C)C)c(=O)n12.
What is the InChIKey of N-(2,2-dimethylpropyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is IVAZQYHBABVRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-6-5-7-12-16-8-11(14(20)18(10)12)13(19)17-9-15(2,3)4/h5-8H,9H2,1-4H3,(H,17,19).
What are the key properties of N-(2,2-dimethylpropyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2,2-dimethylpropyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3079278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).