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

C18H22N4O4 — CID 55786643

IUPAC7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NCC3CCCO3)cc(C3CC3)nc21
InChIInChI=1S/C18H22N4O4/c1-2-22-15-14(17(24)21-18(22)25)12(8-13(20-15)10-5-6-10)16(23)19-9-11-4-3-7-26-11/h8,10-11H,2-7,9H2,1H3,(H,19,23)(H,21,24,25)
InChIKeyDFTRWGMZGQQSJJ-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.89
Rot. Bonds5

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

7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55786643) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID55786643
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NCC3CCCO3)cc(C3CC3)nc21
InChIInChI=1S/C18H22N4O4/c1-2-22-15-14(17(24)21-18(22)25)12(8-13(20-15)10-5-6-10)16(23)19-9-11-4-3-7-26-11/h8,10-11H,2-7,9H2,1H3,(H,19,23)(H,21,24,25)
InChIKeyDFTRWGMZGQQSJJ-UHFFFAOYSA-N
XLogP0.89
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 37248102
6-cyclopropyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 45148427
7-cyclopropyl-1-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39697732
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119629261
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119629260
N-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 60555570
7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 60553684
2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 119348614
N-(3-aminobutyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 119497025
7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37191076
7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55887282
(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-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide (CID 55786643) is 7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide is CCn1c(=O)[nH]c(=O)c2c(C(=O)NCC3CCCO3)cc(C3CC3)nc21.
What is the InChIKey of 7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is DFTRWGMZGQQSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-2-22-15-14(17(24)21-18(22)25)12(8-13(20-15)10-5-6-10)16(23)19-9-11-4-3-7-26-11/h8,10-11H,2-7,9H2,1H3,(H,19,23)(H,21,24,25).
What are the key properties of 7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55786643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).