9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide

C24H21N3O3 — CID 46976398

IUPAC9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCCOc3ccc(-c4ccccc4)cc3)cnc12
InChIInChI=1S/C24H21N3O3/c1-17-6-5-14-27-22(17)26-16-21(24(27)29)23(28)25-13-15-30-20-11-9-19(10-12-20)18-7-3-2-4-8-18/h2-12,14,16H,13,15H2,1H3,(H,25,28)
InChIKeyGLOBTUGIGCAFOR-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.48
Rot. Bonds6

About 9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide

9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 46976398) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID46976398
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCCOc3ccc(-c4ccccc4)cc3)cnc12
InChIInChI=1S/C24H21N3O3/c1-17-6-5-14-27-22(17)26-16-21(24(27)29)23(28)25-13-15-30-20-11-9-19(10-12-20)18-7-3-2-4-8-18/h2-12,14,16H,13,15H2,1H3,(H,25,28)
InChIKeyGLOBTUGIGCAFOR-UHFFFAOYSA-N
XLogP3.48
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364466
9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364468
N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20886611
9-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 53013788
N-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51329870
7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 44580008
N-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 154762719
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 92626081
2-hydroxy-N-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680949
2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 18891605
N-[(2,5-dimethylphenyl)methyl]-N,9-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136536200
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313

Frequently Asked Questions

What is the IUPAC name of 9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 46976398) is 9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccn2c(=O)c(C(=O)NCCOc3ccc(-c4ccccc4)cc3)cnc12.
What is the InChIKey of 9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is GLOBTUGIGCAFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-17-6-5-14-27-22(17)26-16-21(24(27)29)23(28)25-13-15-30-20-11-9-19(10-12-20)18-7-3-2-4-8-18/h2-12,14,16H,13,15H2,1H3,(H,25,28).
What are the key properties of 9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46976398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).