9-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide

C20H29N5O2 — CID 46364472

IUPAC9-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCN1CCN(CCCNC(=O)c2cnc3c(C)cccn3c2=O)CC1
InChIInChI=1S/C20H29N5O2/c1-3-8-23-11-13-24(14-12-23)9-5-7-21-19(26)17-15-22-18-16(2)6-4-10-25(18)20(17)27/h4,6,10,15H,3,5,7-9,11-14H2,1-2H3,(H,21,26)
InChIKeyWFLFOCALLRTFDB-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.15
Rot. Bonds7

About 9-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide

9-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 46364472) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 9-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name9-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID46364472
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name9-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCN1CCN(CCCNC(=O)c2cnc3c(C)cccn3c2=O)CC1
InChIInChI=1S/C20H29N5O2/c1-3-8-23-11-13-24(14-12-23)9-5-7-21-19(26)17-15-22-18-16(2)6-4-10-25(18)20(17)27/h4,6,10,15H,3,5,7-9,11-14H2,1-2H3,(H,21,26)
InChIKeyWFLFOCALLRTFDB-UHFFFAOYSA-N
XLogP1.15
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 9-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 9-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 46364472) is 9-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 9-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 9-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide is CCCN1CCN(CCCNC(=O)c2cnc3c(C)cccn3c2=O)CC1.
What is the InChIKey of 9-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is WFLFOCALLRTFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-3-8-23-11-13-24(14-12-23)9-5-7-21-19(26)17-15-22-18-16(2)6-4-10-25(18)20(17)27/h4,6,10,15H,3,5,7-9,11-14H2,1-2H3,(H,21,26).
What are the key properties of 9-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
9-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46364472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).