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

C19H26N4O3 — CID 135853285

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC1CC(C)CN(CCCNC(=O)c2c(O)nc3ccccn3c2=O)C1
InChIInChI=1S/C19H26N4O3/c1-13-10-14(2)12-22(11-13)8-5-7-20-17(24)16-18(25)21-15-6-3-4-9-23(15)19(16)26/h3-4,6,9,13-14,25H,5,7-8,10-12H2,1-2H3,(H,20,24)
InChIKeyLCOUKSZPXQEMLP-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.50
Rot. Bonds5

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

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135853285) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135853285
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC1CC(C)CN(CCCNC(=O)c2c(O)nc3ccccn3c2=O)C1
InChIInChI=1S/C19H26N4O3/c1-13-10-14(2)12-22(11-13)8-5-7-20-17(24)16-18(25)21-15-6-3-4-9-23(15)19(16)26/h3-4,6,9,13-14,25H,5,7-8,10-12H2,1-2H3,(H,20,24)
InChIKeyLCOUKSZPXQEMLP-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
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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Related Compounds

N-cyclohexyl-2-hydroxy-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680959
2-hydroxy-9-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458476
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458477
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458497
N-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135616971
N-[3-(3,5-dimethylpiperidino)propyl]-4-hydroxy-2-keto-9-methyl-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135853274
2-hydroxy-8-methyl-N-(2-methylcyclohexyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135853278
2-hydroxy-9-methyl-N-(2-methylcyclohexyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135853273
2-hydroxy-4-oxo-N-(3,3,5-trimethylcyclohexyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135853283
2-hydroxy-8-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458487
N-2-methylcyclohexyl-2-hydroxy-4-oxo-1,4a-diaza-4H-naphthalene-3-carboxamide
CID 135853284
4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 24247319

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135853285) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC1CC(C)CN(CCCNC(=O)c2c(O)nc3ccccn3c2=O)C1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is LCOUKSZPXQEMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13-10-14(2)12-22(11-13)8-5-7-20-17(24)16-18(25)21-15-6-3-4-9-23(15)19(16)26/h3-4,6,9,13-14,25H,5,7-8,10-12H2,1-2H3,(H,20,24).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.50, 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-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135853285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).