7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C13H16N4O2 — CID 119500073

IUPAC7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCNCCNC(=O)c1cnc2ccc(C)cn2c1=O
InChIInChI=1S/C13H16N4O2/c1-9-3-4-11-16-7-10(13(19)17(11)8-9)12(18)15-6-5-14-2/h3-4,7-8,14H,5-6H2,1-2H3,(H,15,18)
InChIKeyASWMNURVWLXOCS-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.05
Rot. Bonds4

About 7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 119500073) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID119500073
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCNCCNC(=O)c1cnc2ccc(C)cn2c1=O
InChIInChI=1S/C13H16N4O2/c1-9-3-4-11-16-7-10(13(19)17(11)8-9)12(18)15-6-5-14-2/h3-4,7-8,14H,5-6H2,1-2H3,(H,15,18)
InChIKeyASWMNURVWLXOCS-UHFFFAOYSA-N
XLogP-0.05
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 119500073) is 7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CNCCNC(=O)c1cnc2ccc(C)cn2c1=O.
What is the InChIKey of 7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ASWMNURVWLXOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-3-4-11-16-7-10(13(19)17(11)8-9)12(18)15-6-5-14-2/h3-4,7-8,14H,5-6H2,1-2H3,(H,15,18).
What are the key properties of 7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 119500073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).