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

C17H24N4O2 — CID 8906535

IUPAC2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C17H24N4O2/c1-5-20(11-16(22)18-12(2)3)10-14-8-17(23)21-9-13(4)6-7-15(21)19-14/h6-9,12H,5,10-11H2,1-4H3,(H,18,22)
InChIKeyFJCUOAHYHMPUPZ-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.35
Rot. Bonds6

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

2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide (PubChem CID 8906535) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide
PubChem CID8906535
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C17H24N4O2/c1-5-20(11-16(22)18-12(2)3)10-14-8-17(23)21-9-13(4)6-7-15(21)19-14/h6-9,12H,5,10-11H2,1-4H3,(H,18,22)
InChIKeyFJCUOAHYHMPUPZ-UHFFFAOYSA-N
XLogP1.35
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide (CID 8906535) is 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)Cc1cc(=O)n2cc(C)ccc2n1.
What is the InChIKey of 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is FJCUOAHYHMPUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-5-20(11-16(22)18-12(2)3)10-14-8-17(23)21-9-13(4)6-7-15(21)19-14/h6-9,12H,5,10-11H2,1-4H3,(H,18,22).
What are the key properties of 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 316.41 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 8906535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).