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

C19H26N4O3 — CID 135458476

IUPAC2-hydroxy-9-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCCCN3CCCCC3C)c(O)nc12
InChIInChI=1S/C19H26N4O3/c1-13-7-5-12-23-16(13)21-18(25)15(19(23)26)17(24)20-9-6-11-22-10-4-3-8-14(22)2/h5,7,12,14,25H,3-4,6,8-11H2,1-2H3,(H,20,24)
InChIKeyMUKHSPVJZMTUHZ-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.70
Rot. Bonds5

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

2-hydroxy-9-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135458476) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-hydroxy-9-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-9-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135458476
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-hydroxy-9-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCCCN3CCCCC3C)c(O)nc12
InChIInChI=1S/C19H26N4O3/c1-13-7-5-12-23-16(13)21-18(25)15(19(23)26)17(24)20-9-6-11-22-10-4-3-8-14(22)2/h5,7,12,14,25H,3-4,6,8-11H2,1-2H3,(H,20,24)
InChIKeyMUKHSPVJZMTUHZ-UHFFFAOYSA-N
XLogP1.70
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.70
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 2-hydroxy-9-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-9-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135458476) is 2-hydroxy-9-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-9-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-9-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccn2c(=O)c(C(=O)NCCCN3CCCCC3C)c(O)nc12.
What is the InChIKey of 2-hydroxy-9-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is MUKHSPVJZMTUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13-7-5-12-23-16(13)21-18(25)15(19(23)26)17(24)20-9-6-11-22-10-4-3-8-14(22)2/h5,7,12,14,25H,3-4,6,8-11H2,1-2H3,(H,20,24).
What are the key properties of 2-hydroxy-9-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-9-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-9-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135458476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).