2-[methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide

C16H22N4O2 — CID 9049547

IUPAC2-[methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide
SMILESCc1ccc2nc(CN(C)CC(=O)NC(C)C)cc(=O)n2c1
InChIInChI=1S/C16H22N4O2/c1-11(2)17-15(21)10-19(4)9-13-7-16(22)20-8-12(3)5-6-14(20)18-13/h5-8,11H,9-10H2,1-4H3,(H,17,21)
InChIKeyAHJNMZFFMJKGPT-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.96
Rot. Bonds5

About 2-[methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide

2-[methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide (PubChem CID 9049547) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide
PubChem CID9049547
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide
SMILESCc1ccc2nc(CN(C)CC(=O)NC(C)C)cc(=O)n2c1
InChIInChI=1S/C16H22N4O2/c1-11(2)17-15(21)10-19(4)9-13-7-16(22)20-8-12(3)5-6-14(20)18-13/h5-8,11H,9-10H2,1-4H3,(H,17,21)
InChIKeyAHJNMZFFMJKGPT-UHFFFAOYSA-N
XLogP0.96
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide (CID 9049547) is 2-[methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide is Cc1ccc2nc(CN(C)CC(=O)NC(C)C)cc(=O)n2c1.
What is the InChIKey of 2-[methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is AHJNMZFFMJKGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(2)17-15(21)10-19(4)9-13-7-16(22)20-8-12(3)5-6-14(20)18-13/h5-8,11H,9-10H2,1-4H3,(H,17,21).
What are the key properties of 2-[methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide?
2-[methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 302.38 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9049547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).