7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide

C21H22N4O3 — CID 37248102

IUPAC7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NCCc3ccccc3)cc(C3CC3)nc21
InChIInChI=1S/C21H22N4O3/c1-2-25-18-17(20(27)24-21(25)28)15(12-16(23-18)14-8-9-14)19(26)22-11-10-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,22,26)(H,24,27,28)
InChIKeyIRYNARKTBCJHEW-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.95
Rot. Bonds6

About 7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide

7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 37248102) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID37248102
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NCCc3ccccc3)cc(C3CC3)nc21
InChIInChI=1S/C21H22N4O3/c1-2-25-18-17(20(27)24-21(25)28)15(12-16(23-18)14-8-9-14)19(26)22-11-10-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,22,26)(H,24,27,28)
InChIKeyIRYNARKTBCJHEW-UHFFFAOYSA-N
XLogP1.95
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-cyclopropyl-1-ethyl-2,4-dioxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55977632
7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 60553684
7-cyclopropyl-1-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39697732
7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55786643
N-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 60555570
7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37191076
N-(3-aminobutyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 119497025
N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37126644
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119629261
N-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 55580941
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119629260
(4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 71897602

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide (CID 37248102) is 7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide is CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCc3ccccc3)cc(C3CC3)nc21.
What is the InChIKey of 7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is IRYNARKTBCJHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-2-25-18-17(20(27)24-21(25)28)15(12-16(23-18)14-8-9-14)19(26)22-11-10-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,22,26)(H,24,27,28).
What are the key properties of 7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 37248102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).