9-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H25N5O2 — CID 46364467

IUPAC9-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCCCN3CCN(C)CC3)cnc12
InChIInChI=1S/C18H25N5O2/c1-14-5-3-8-23-16(14)20-13-15(18(23)25)17(24)19-6-4-7-22-11-9-21(2)10-12-22/h3,5,8,13H,4,6-7,9-12H2,1-2H3,(H,19,24)
InChIKeyNWNRNMMNGREQOP-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.37
Rot. Bonds5

About 9-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

9-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 46364467) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 9-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name9-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID46364467
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name9-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCCCN3CCN(C)CC3)cnc12
InChIInChI=1S/C18H25N5O2/c1-14-5-3-8-23-16(14)20-13-15(18(23)25)17(24)19-6-4-7-22-11-9-21(2)10-12-22/h3,5,8,13H,4,6-7,9-12H2,1-2H3,(H,19,24)
InChIKeyNWNRNMMNGREQOP-UHFFFAOYSA-N
XLogP0.37
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 9-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 46364467) is 9-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 9-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 9-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccn2c(=O)c(C(=O)NCCCN3CCN(C)CC3)cnc12.
What is the InChIKey of 9-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is NWNRNMMNGREQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-5-3-8-23-16(14)20-13-15(18(23)25)17(24)19-6-4-7-22-11-9-21(2)10-12-22/h3,5,8,13H,4,6-7,9-12H2,1-2H3,(H,19,24).
What are the key properties of 9-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
9-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46364467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).