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

C20H28N4O3 — CID 135458477

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)c1c(O)nc2c(C)cccn2c1=O
InChIInChI=1S/C20H28N4O3/c1-3-15-9-4-5-11-23(15)12-7-10-21-18(25)16-19(26)22-17-14(2)8-6-13-24(17)20(16)27/h6,8,13,15,26H,3-5,7,9-12H2,1-2H3,(H,21,25)
InChIKeyYYXCXSSGNJZPJH-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.09
Rot. Bonds6

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

N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135458477) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135458477
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)c1c(O)nc2c(C)cccn2c1=O
InChIInChI=1S/C20H28N4O3/c1-3-15-9-4-5-11-23(15)12-7-10-21-18(25)16-19(26)22-17-14(2)8-6-13-24(17)20(16)27/h6,8,13,15,26H,3-5,7,9-12H2,1-2H3,(H,21,25)
InChIKeyYYXCXSSGNJZPJH-UHFFFAOYSA-N
XLogP2.09
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
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 N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135458477) is N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCC1CCCCN1CCCNC(=O)c1c(O)nc2c(C)cccn2c1=O.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YYXCXSSGNJZPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-3-15-9-4-5-11-23(15)12-7-10-21-18(25)16-19(26)22-17-14(2)8-6-13-24(17)20(16)27/h6,8,13,15,26H,3-5,7,9-12H2,1-2H3,(H,21,25).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135458477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).