N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

C23H24N4O5 — CID 39266452

IUPACN-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc4c(c3)OCO4)cc(C3CC3)nc21
InChIInChI=1S/C23H24N4O5/c1-12(2)10-27-20-19(22(29)26-23(27)30)15(8-16(25-20)14-4-5-14)21(28)24-9-13-3-6-17-18(7-13)32-11-31-17/h3,6-8,12,14H,4-5,9-11H2,1-2H3,(H,24,28)(H,26,29,30)
InChIKeyFIAVTEKHXNKADK-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.28
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 39266452) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID39266452
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc4c(c3)OCO4)cc(C3CC3)nc21
InChIInChI=1S/C23H24N4O5/c1-12(2)10-27-20-19(22(29)26-23(27)30)15(8-16(25-20)14-4-5-14)21(28)24-9-13-3-6-17-18(7-13)32-11-31-17/h3,6-8,12,14H,4-5,9-11H2,1-2H3,(H,24,28)(H,26,29,30)
InChIKeyFIAVTEKHXNKADK-UHFFFAOYSA-N
XLogP2.28
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-cyclopropyl-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 55972944
N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-ethyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39628079
N-(3-aminobutyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 119497025
7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 37133161
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-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55725891
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39625352
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55342979
N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37036301
7-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37037491
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134797046
N-[(5-chloro-2-methoxyphenyl)methyl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 78887243

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (CID 39266452) is N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc4c(c3)OCO4)cc(C3CC3)nc21.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is FIAVTEKHXNKADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-12(2)10-27-20-19(22(29)26-23(27)30)15(8-16(25-20)14-4-5-14)21(28)24-9-13-3-6-17-18(7-13)32-11-31-17/h3,6-8,12,14H,4-5,9-11H2,1-2H3,(H,24,28)(H,26,29,30).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 39266452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).