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

C19H26N4O3 — CID 135458497

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C19H26N4O3/c1-2-14-8-3-5-11-22(14)12-7-10-20-17(24)16-18(25)21-15-9-4-6-13-23(15)19(16)26/h4,6,9,13-14,25H,2-3,5,7-8,10-12H2,1H3,(H,20,24)
InChIKeySGIQSCZFTGZRKO-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.78
Rot. Bonds6

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

N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135458497) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135458497
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C19H26N4O3/c1-2-14-8-3-5-11-22(14)12-7-10-20-17(24)16-18(25)21-15-9-4-6-13-23(15)19(16)26/h4,6,9,13-14,25H,2-3,5,7-8,10-12H2,1H3,(H,20,24)
InChIKeySGIQSCZFTGZRKO-UHFFFAOYSA-N
XLogP1.78
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.78
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-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135458497) is N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCC1CCCCN1CCCNC(=O)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is SGIQSCZFTGZRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-2-14-8-3-5-11-22(14)12-7-10-20-17(24)16-18(25)21-15-9-4-6-13-23(15)19(16)26/h4,6,9,13-14,25H,2-3,5,7-8,10-12H2,1H3,(H,20,24).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.78, 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-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135458497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).