7-methyl-2-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one

C20H20N4O2 — CID 8967307

IUPAC7-methyl-2-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CNc3ccc(N4CCCC4=O)cc3)cc(=O)n2c1
InChIInChI=1S/C20H20N4O2/c1-14-4-9-18-22-16(11-20(26)24(18)13-14)12-21-15-5-7-17(8-6-15)23-10-2-3-19(23)25/h4-9,11,13,21H,2-3,10,12H2,1H3
InChIKeyOJPPTKMBIDCEMP-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.74
Rot. Bonds4

About 7-methyl-2-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 8967307) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 7-methyl-2-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID8967307
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name7-methyl-2-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CNc3ccc(N4CCCC4=O)cc3)cc(=O)n2c1
InChIInChI=1S/C20H20N4O2/c1-14-4-9-18-22-16(11-20(26)24(18)13-14)12-21-15-5-7-17(8-6-15)23-10-2-3-19(23)25/h4-9,11,13,21H,2-3,10,12H2,1H3
InChIKeyOJPPTKMBIDCEMP-UHFFFAOYSA-N
XLogP2.74
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 8967307) is 7-methyl-2-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CNc3ccc(N4CCCC4=O)cc3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OJPPTKMBIDCEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-4-9-18-22-16(11-20(26)24(18)13-14)12-21-15-5-7-17(8-6-15)23-10-2-3-19(23)25/h4-9,11,13,21H,2-3,10,12H2,1H3.
What are the key properties of 7-methyl-2-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 348.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8967307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).