N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C20H28N4O3 — CID 135853274

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCCCN3CC(C)CC(C)C3)c(O)nc12
InChIInChI=1S/C20H28N4O3/c1-13-10-14(2)12-23(11-13)8-5-7-21-18(25)16-19(26)22-17-15(3)6-4-9-24(17)20(16)27/h4,6,9,13-14,26H,5,7-8,10-12H2,1-3H3,(H,21,25)
InChIKeyMDDYKHFKAKYZGB-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.81
Rot. Bonds5

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135853274) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135853274
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCCCN3CC(C)CC(C)C3)c(O)nc12
InChIInChI=1S/C20H28N4O3/c1-13-10-14(2)12-23(11-13)8-5-7-21-18(25)16-19(26)22-17-15(3)6-4-9-24(17)20(16)27/h4,6,9,13-14,26H,5,7-8,10-12H2,1-3H3,(H,21,25)
InChIKeyMDDYKHFKAKYZGB-UHFFFAOYSA-N
XLogP1.81
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.81
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-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135853274) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccn2c(=O)c(C(=O)NCCCN3CC(C)CC(C)C3)c(O)nc12.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is MDDYKHFKAKYZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-13-10-14(2)12-23(11-13)8-5-7-21-18(25)16-19(26)22-17-15(3)6-4-9-24(17)20(16)27/h4,6,9,13-14,26H,5,7-8,10-12H2,1-3H3,(H,21,25).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[3-(3,5-dimethylpiperidin-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 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135853274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).