7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

C22H23FN4O4 — CID 39683908

IUPAC7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)CCOc3ccc(F)cc3)cc(C3CC3)nc21
InChIInChI=1S/C22H23FN4O4/c1-3-27-19-18(20(28)25-22(27)30)16(12-17(24-19)13-4-5-13)21(29)26(2)10-11-31-15-8-6-14(23)7-9-15/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,25,28,30)
InChIKeyKTATYCTVMOSGHK-UHFFFAOYSA-N
MW426.45 g/mol
LogP2.27
Rot. Bonds7

About 7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 39683908) has the molecular formula C22H23FN4O4 and a molecular weight of 426.45 g/mol. Its IUPAC name is 7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID39683908
Molecular FormulaC22H23FN4O4
Molecular Weight426.45 g/mol
Exact Mass426.17
IUPAC Name7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)CCOc3ccc(F)cc3)cc(C3CC3)nc21
InChIInChI=1S/C22H23FN4O4/c1-3-27-19-18(20(28)25-22(27)30)16(12-17(24-19)13-4-5-13)21(29)26(2)10-11-31-15-8-6-14(23)7-9-15/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,25,28,30)
InChIKeyKTATYCTVMOSGHK-UHFFFAOYSA-N
XLogP2.27
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-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

(4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 71897602
3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid
CID 122111825
7-cyclopropyl-1-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39697732
7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 78860350
7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55595228
N-methyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-phenoxyethyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39320124
7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 55967720
5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 120814683
7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55725891
7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 60553684
5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 120804444
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119629260

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (CID 39683908) is 7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is CCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)CCOc3ccc(F)cc3)cc(C3CC3)nc21.
What is the InChIKey of 7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is KTATYCTVMOSGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O4/c1-3-27-19-18(20(28)25-22(27)30)16(12-17(24-19)13-4-5-13)21(29)26(2)10-11-31-15-8-6-14(23)7-9-15/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,25,28,30).
What are the key properties of 7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 426.45 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 39683908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).