N-[2-(1-cyclopropylethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide

C20H28N4O2 — CID 56944224

IUPACN-[2-(1-cyclopropylethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide
SMILESCc1cccn2c(=O)c(NC(=O)CC(C)(C)C)c(NC(C)C3CC3)nc12
InChIInChI=1S/C20H28N4O2/c1-12-7-6-10-24-18(12)23-17(21-13(2)14-8-9-14)16(19(24)26)22-15(25)11-20(3,4)5/h6-7,10,13-14,21H,8-9,11H2,1-5H3,(H,22,25)
InChIKeyHRJJAAXUMNMSQK-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.59
Rot. Bonds5

About N-[2-(1-cyclopropylethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide

N-[2-(1-cyclopropylethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide (PubChem CID 56944224) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-(1-cyclopropylethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide
PubChem CID56944224
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[2-(1-cyclopropylethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide
SMILESCc1cccn2c(=O)c(NC(=O)CC(C)(C)C)c(NC(C)C3CC3)nc12
InChIInChI=1S/C20H28N4O2/c1-12-7-6-10-24-18(12)23-17(21-13(2)14-8-9-14)16(19(24)26)22-15(25)11-20(3,4)5/h6-7,10,13-14,21H,8-9,11H2,1-5H3,(H,22,25)
InChIKeyHRJJAAXUMNMSQK-UHFFFAOYSA-N
XLogP3.59
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1-cyclopropylethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(1-cyclopropylethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide (CID 56944224) is N-[2-(1-cyclopropylethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(1-cyclopropylethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(1-cyclopropylethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide is Cc1cccn2c(=O)c(NC(=O)CC(C)(C)C)c(NC(C)C3CC3)nc12.
What is the InChIKey of N-[2-(1-cyclopropylethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide?
The InChIKey is HRJJAAXUMNMSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-12-7-6-10-24-18(12)23-17(21-13(2)14-8-9-14)16(19(24)26)22-15(25)11-20(3,4)5/h6-7,10,13-14,21H,8-9,11H2,1-5H3,(H,22,25).
What are the key properties of N-[2-(1-cyclopropylethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide?
N-[2-(1-cyclopropylethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide has a molecular weight of 356.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 56944224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).