N-(2-hydroxy-2-methylpropyl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C15H19N3O3 — CID 111542899

IUPACN-(2-hydroxy-2-methylpropyl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)N(C)CC(C)(C)O)cnc2c1
InChIInChI=1S/C15H19N3O3/c1-10-5-6-18-12(7-10)16-8-11(14(18)20)13(19)17(4)9-15(2,3)21/h5-8,21H,9H2,1-4H3
InChIKeyMJSHSGSSPYAZGB-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.85
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(2-hydroxy-2-methylpropyl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 111542899) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID111542899
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)N(C)CC(C)(C)O)cnc2c1
InChIInChI=1S/C15H19N3O3/c1-10-5-6-18-12(7-10)16-8-11(14(18)20)13(19)17(4)9-15(2,3)21/h5-8,21H,9H2,1-4H3
InChIKeyMJSHSGSSPYAZGB-UHFFFAOYSA-N
XLogP0.85
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 111542899) is N-(2-hydroxy-2-methylpropyl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)N(C)CC(C)(C)O)cnc2c1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is MJSHSGSSPYAZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-5-6-18-12(7-10)16-8-11(14(18)20)13(19)17(4)9-15(2,3)21/h5-8,21H,9H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2-hydroxy-2-methylpropyl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 111542899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).