N-[3-(2-methoxyethoxy)propyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

C17H24N4O5 — CID 55678363

IUPACN-[3-(2-methoxyethoxy)propyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCCOCCOC)cnc21
InChIInChI=1S/C17H24N4O5/c1-3-6-21-14-13(16(23)20-17(21)24)10-12(11-19-14)15(22)18-5-4-7-26-9-8-25-2/h10-11H,3-9H2,1-2H3,(H,18,22)(H,20,23,24)
InChIKeyBAKFIPMVDATNPZ-UHFFFAOYSA-N
MW364.40 g/mol
LogP0.28
Rot. Bonds10

About N-[3-(2-methoxyethoxy)propyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

N-[3-(2-methoxyethoxy)propyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55678363) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID55678363
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCCOCCOC)cnc21
InChIInChI=1S/C17H24N4O5/c1-3-6-21-14-13(16(23)20-17(21)24)10-12(11-19-14)15(22)18-5-4-7-26-9-8-25-2/h10-11H,3-9H2,1-2H3,(H,18,22)(H,20,23,24)
InChIKeyBAKFIPMVDATNPZ-UHFFFAOYSA-N
XLogP0.28
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 87046001
2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55970852
2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 37137967
N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46554711
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 39984479
N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553241
2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55555466
2,4-dioxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55963391
N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46552519
2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 51932414
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 86930470
tert-butyl N-[1-[[(2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carbonyl)amino]methyl]cycloheptyl]carbamate
CID 31865201

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 55678363) is N-[3-(2-methoxyethoxy)propyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCCOCCOC)cnc21.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BAKFIPMVDATNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-3-6-21-14-13(16(23)20-17(21)24)10-12(11-19-14)15(22)18-5-4-7-26-9-8-25-2/h10-11H,3-9H2,1-2H3,(H,18,22)(H,20,23,24).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
N-[3-(2-methoxyethoxy)propyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 0.28, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55678363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).