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

C19H21N3O4 — CID 108788123

IUPACN-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2(C)CC(=O)N=C3C=CC=CN32)cc1
InChIInChI=1S/C19H21N3O4/c1-19(13-17(23)21-16-5-3-4-11-22(16)19)18(24)20-10-12-26-15-8-6-14(25-2)7-9-15/h3-9,11H,10,12-13H2,1-2H3,(H,20,24)
InChIKeyLQRZOWBSHOBFPE-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.66
Rot. Bonds6

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

N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 108788123) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID108788123
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2(C)CC(=O)N=C3C=CC=CN32)cc1
InChIInChI=1S/C19H21N3O4/c1-19(13-17(23)21-16-5-3-4-11-22(16)19)18(24)20-10-12-26-15-8-6-14(25-2)7-9-15/h3-9,11H,10,12-13H2,1-2H3,(H,20,24)
InChIKeyLQRZOWBSHOBFPE-UHFFFAOYSA-N
XLogP1.66
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.66
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-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108800983
ethyl 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate
CID 108800911
4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108810284
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108801048
N-[3-(2-methoxyphenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 16677948
(2S)-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 92627141
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide
CID 119302828
4-methyl-N-[6-(4-nitrophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108800998
(4S)-4,8-dimethyl-2-oxo-N-[2-(pyridine-2-carbonylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 51499025
(4S)-N-(2-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 51552838
4-methyl-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108800928
N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521116

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 108788123) is N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is COc1ccc(OCCNC(=O)C2(C)CC(=O)N=C3C=CC=CN32)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is LQRZOWBSHOBFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-19(13-17(23)21-16-5-3-4-11-22(16)19)18(24)20-10-12-26-15-8-6-14(25-2)7-9-15/h3-9,11H,10,12-13H2,1-2H3,(H,20,24).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 108788123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).