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

C18H24N4O2 — CID 46471137

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cnc3ccccn3c2=O)CC1
InChIInChI=1S/C18H24N4O2/c1-14-6-11-21(12-7-14)9-4-8-19-17(23)15-13-20-16-5-2-3-10-22(16)18(15)24/h2-3,5,10,13-14H,4,6-9,11-12H2,1H3,(H,19,23)
InChIKeyFLFNRBWVCKJCDB-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.55
Rot. Bonds5

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

N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 46471137) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID46471137
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cnc3ccccn3c2=O)CC1
InChIInChI=1S/C18H24N4O2/c1-14-6-11-21(12-7-14)9-4-8-19-17(23)15-13-20-16-5-2-3-10-22(16)18(15)24/h2-3,5,10,13-14H,4,6-9,11-12H2,1H3,(H,19,23)
InChIKeyFLFNRBWVCKJCDB-UHFFFAOYSA-N
XLogP1.55
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
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 N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 46471137) is N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC1CCN(CCCNC(=O)c2cnc3ccccn3c2=O)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FLFNRBWVCKJCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-6-11-21(12-7-14)9-4-8-19-17(23)15-13-20-16-5-2-3-10-22(16)18(15)24/h2-3,5,10,13-14H,4,6-9,11-12H2,1H3,(H,19,23).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46471137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).