2-hydroxy-9-methyl-N-(3-morpholin-4-ylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H22N4O4 — CID 135680980

IUPAC2-hydroxy-9-methyl-N-(3-morpholin-4-ylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCCCN3CCOCC3)c(O)nc12
InChIInChI=1S/C17H22N4O4/c1-12-4-2-7-21-14(12)19-16(23)13(17(21)24)15(22)18-5-3-6-20-8-10-25-11-9-20/h2,4,7,23H,3,5-6,8-11H2,1H3,(H,18,22)
InChIKeyFPVQOCYIUAGNHW-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.16
Rot. Bonds5

About 2-hydroxy-9-methyl-N-(3-morpholin-4-ylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-9-methyl-N-(3-morpholin-4-ylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135680980) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-hydroxy-9-methyl-N-(3-morpholin-4-ylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-9-methyl-N-(3-morpholin-4-ylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135680980
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name2-hydroxy-9-methyl-N-(3-morpholin-4-ylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCCCN3CCOCC3)c(O)nc12
InChIInChI=1S/C17H22N4O4/c1-12-4-2-7-21-14(12)19-16(23)13(17(21)24)15(22)18-5-3-6-20-8-10-25-11-9-20/h2,4,7,23H,3,5-6,8-11H2,1H3,(H,18,22)
InChIKeyFPVQOCYIUAGNHW-UHFFFAOYSA-N
XLogP0.16
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-hydroxy-9-methyl-N-(3-morpholin-4-ylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(3,5-dimethylpiperidino)propyl]-4-hydroxy-2-keto-9-methyl-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135853274
2-hydroxy-N-(2-morpholin-4-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681068
N-(2-morpholinoethyl)-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 45804820
2-hydroxy-8-methyl-N-[2-(morpholin-4-yl)ethyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681022
2-hydroxy-N-(3-isopropoxypropyl)-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680993
2-hydroxy-N-(2-hydroxyethyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681038
N-(2,2-dimethoxyethyl)-2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135853281
2-hydroxy-N-(2-hydroxyethyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680951
N-(2-methoxyethyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364457
9-Methyl-3-(morpholine-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 53009362
9-hydroxy-3-{[4-(2-propoxyethyl)piperazin-1-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 74250759

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-9-methyl-N-(3-morpholin-4-ylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-9-methyl-N-(3-morpholin-4-ylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135680980) is 2-hydroxy-9-methyl-N-(3-morpholin-4-ylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-9-methyl-N-(3-morpholin-4-ylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-9-methyl-N-(3-morpholin-4-ylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccn2c(=O)c(C(=O)NCCCN3CCOCC3)c(O)nc12.
What is the InChIKey of 2-hydroxy-9-methyl-N-(3-morpholin-4-ylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FPVQOCYIUAGNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-12-4-2-7-21-14(12)19-16(23)13(17(21)24)15(22)18-5-3-6-20-8-10-25-11-9-20/h2,4,7,23H,3,5-6,8-11H2,1H3,(H,18,22).
What are the key properties of 2-hydroxy-9-methyl-N-(3-morpholin-4-ylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-9-methyl-N-(3-morpholin-4-ylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-9-methyl-N-(3-morpholin-4-ylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135680980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).