N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-methoxyphenyl)acetamide

C19H19N3O3 — CID 16799368

IUPACN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2c(C)nc3cc(C)ccn3c2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-12-8-9-22-16(10-12)20-13(2)18(19(22)24)21-17(23)11-14-4-6-15(25-3)7-5-14/h4-10H,11H2,1-3H3,(H,21,23)
InChIKeyYWBLWWPSDNZSRU-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.50
Rot. Bonds4

About N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-methoxyphenyl)acetamide

N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 16799368) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID16799368
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2c(C)nc3cc(C)ccn3c2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-12-8-9-22-16(10-12)20-13(2)18(19(22)24)21-17(23)11-14-4-6-15(25-3)7-5-14/h4-10H,11H2,1-3H3,(H,21,23)
InChIKeyYWBLWWPSDNZSRU-UHFFFAOYSA-N
XLogP2.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-methoxyphenyl)acetamide (CID 16799368) is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2c(C)nc3cc(C)ccn3c2=O)cc1.
What is the InChIKey of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is YWBLWWPSDNZSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-8-9-22-16(10-12)20-13(2)18(19(22)24)21-17(23)11-14-4-6-15(25-3)7-5-14/h4-10H,11H2,1-3H3,(H,21,23).
What are the key properties of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-methoxyphenyl)acetamide?
N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 16799368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).