N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

C20H22N4O4 — CID 53085401

IUPACN-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(C)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H22N4O4/c1-12-11-14(16-17(22-12)23(2)20(27)24(3)19(16)26)18(25)21-10-9-13-7-5-6-8-15(13)28-4/h5-8,11H,9-10H2,1-4H3,(H,21,25)
InChIKeyCQZSDUWXZHHTKT-UHFFFAOYSA-N
MW382.42 g/mol
LogP0.92
Rot. Bonds5

About N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53085401) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID53085401
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(C)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H22N4O4/c1-12-11-14(16-17(22-12)23(2)20(27)24(3)19(16)26)18(25)21-10-9-13-7-5-6-8-15(13)28-4/h5-8,11H,9-10H2,1-4H3,(H,21,25)
InChIKeyCQZSDUWXZHHTKT-UHFFFAOYSA-N
XLogP0.92
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[2-(furan-2-yl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53085396
1-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 53368394
6-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31700057
1,3,7-trimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53007746
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 31526897
N-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53085393
6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31866868
1,3,7-trimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 93068970
N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 31115490
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
N-[2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide
CID 26778040
2-benzyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 27756984

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (CID 53085401) is N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is COc1ccccc1CCNC(=O)c1cc(C)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is CQZSDUWXZHHTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12-11-14(16-17(22-12)23(2)20(27)24(3)19(16)26)18(25)21-10-9-13-7-5-6-8-15(13)28-4/h5-8,11H,9-10H2,1-4H3,(H,21,25).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53085401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).