3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid

C19H24N4O5 — CID 122111825

IUPAC3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)CC(C)C(=O)O)cc(C3CC3)nc21
InChIInChI=1S/C19H24N4O5/c1-4-7-23-15-14(16(24)21-19(23)28)12(8-13(20-15)11-5-6-11)17(25)22(3)9-10(2)18(26)27/h8,10-11H,4-7,9H2,1-3H3,(H,26,27)(H,21,24,28)
InChIKeyIHSGBZZSJCISEB-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.16
Rot. Bonds7

About 3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid

3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 122111825) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID122111825
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)CC(C)C(=O)O)cc(C3CC3)nc21
InChIInChI=1S/C19H24N4O5/c1-4-7-23-15-14(16(24)21-19(23)28)12(8-13(20-15)11-5-6-11)17(25)22(3)9-10(2)18(26)27/h8,10-11H,4-7,9H2,1-3H3,(H,26,27)(H,21,24,28)
InChIKeyIHSGBZZSJCISEB-UHFFFAOYSA-N
XLogP1.16
TPSA125.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid with MolForge

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Related Compounds

7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55595228
7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 78860350
2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 119348614
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
7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37191076
5-(4-aminopiperidine-1-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119375755
N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37126644
7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55887282
7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266376
7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39683908
N-(1-amino-2-methylpropan-2-yl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119524035

Frequently Asked Questions

What is the IUPAC name of 3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid (CID 122111825) is 3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid is CCCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)CC(C)C(=O)O)cc(C3CC3)nc21.
What is the InChIKey of 3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is IHSGBZZSJCISEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-4-7-23-15-14(16(24)21-19(23)28)12(8-13(20-15)11-5-6-11)17(25)22(3)9-10(2)18(26)27/h8,10-11H,4-7,9H2,1-3H3,(H,26,27)(H,21,24,28).
What are the key properties of 3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid?
3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 388.42 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122111825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).