N-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C16H22N4O5 — CID 55929786

IUPACN-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCOCCOCCCNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C16H22N4O5/c1-19-13-11(15(22)20(2)16(19)23)5-6-12(18-13)14(21)17-7-4-8-25-10-9-24-3/h5-6H,4,7-10H2,1-3H3,(H,17,21)
InChIKeyKLOAGLGTNZBXAL-UHFFFAOYSA-N
MW350.38 g/mol
LogP-0.58
Rot. Bonds8

About N-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

N-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 55929786) has the molecular formula C16H22N4O5 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID55929786
Molecular FormulaC16H22N4O5
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCOCCOCCCNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C16H22N4O5/c1-19-13-11(15(22)20(2)16(19)23)5-6-12(18-13)14(21)17-7-4-8-25-10-9-24-3/h5-6H,4,7-10H2,1-3H3,(H,17,21)
InChIKeyKLOAGLGTNZBXAL-UHFFFAOYSA-N
XLogP-0.58
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30853289
1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119432864
N-tert-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37132946
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
N'-[2-(4-methoxyanilino)acetyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbohydrazide
CID 55596113
N-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 47055040
N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119571068
1,3-dimethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 154735884
N-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119574889
N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 119611558
N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84555533
N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189744

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 55929786) is N-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is COCCOCCCNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is KLOAGLGTNZBXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5/c1-19-13-11(15(22)20(2)16(19)23)5-6-12(18-13)14(21)17-7-4-8-25-10-9-24-3/h5-6H,4,7-10H2,1-3H3,(H,17,21).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 350.38 g/mol, XLogP of -0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 55929786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).