1-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide

C15H18N4O2 — CID 154763108

IUPAC1-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H18N4O2/c1-18-7-4-5-12(18)15(21)16-10-11-9-14(20)19-8-3-2-6-13(19)17-11/h2-3,6,8-9,12H,4-5,7,10H2,1H3,(H,16,21)
InChIKeyLGJXYRYJAVFQDD-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.40
Rot. Bonds3

About 1-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide

1-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 154763108) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID154763108
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H18N4O2/c1-18-7-4-5-12(18)15(21)16-10-11-9-14(20)19-8-3-2-6-13(19)17-11/h2-3,6,8-9,12H,4-5,7,10H2,1H3,(H,16,21)
InChIKeyLGJXYRYJAVFQDD-UHFFFAOYSA-N
XLogP0.40
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide (CID 154763108) is 1-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide is CN1CCCC1C(=O)NCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 1-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is LGJXYRYJAVFQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18-7-4-5-12(18)15(21)16-10-11-9-14(20)19-8-3-2-6-13(19)17-11/h2-3,6,8-9,12H,4-5,7,10H2,1H3,(H,16,21).
What are the key properties of 1-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide?
1-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 154763108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).