2-[butyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide

C16H22N4O2 — CID 56812870

IUPAC2-[butyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C16H22N4O2/c1-3-4-7-19(11-14(17)21)10-13-8-16(22)20-9-12(2)5-6-15(20)18-13/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,17,21)
InChIKeyFWFKXENLUXTWPJ-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.09
Rot. Bonds7

About 2-[butyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide

2-[butyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide (PubChem CID 56812870) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[butyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
PubChem CID56812870
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[butyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C16H22N4O2/c1-3-4-7-19(11-14(17)21)10-13-8-16(22)20-9-12(2)5-6-15(20)18-13/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,17,21)
InChIKeyFWFKXENLUXTWPJ-UHFFFAOYSA-N
XLogP1.09
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide?
The IUPAC name of 2-[butyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide (CID 56812870) is 2-[butyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide is CCCCN(CC(N)=O)Cc1cc(=O)n2cc(C)ccc2n1.
What is the InChIKey of 2-[butyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide?
The InChIKey is FWFKXENLUXTWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-4-7-19(11-14(17)21)10-13-8-16(22)20-9-12(2)5-6-15(20)18-13/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,17,21).
What are the key properties of 2-[butyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide?
2-[butyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 56812870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).