N-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

C24H28N4O4 — CID 60555570

IUPACN-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCCOc1cccc(CNC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3CC)c1
InChIInChI=1S/C24H28N4O4/c1-3-5-11-32-17-8-6-7-15(12-17)14-25-22(29)18-13-19(16-9-10-16)26-21-20(18)23(30)27-24(31)28(21)4-2/h6-8,12-13,16H,3-5,9-11,14H2,1-2H3,(H,25,29)(H,27,30,31)
InChIKeyUEXAEVBCUICSDN-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.09
Rot. Bonds9

About N-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

N-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 60555570) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID60555570
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCCOc1cccc(CNC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3CC)c1
InChIInChI=1S/C24H28N4O4/c1-3-5-11-32-17-8-6-7-15(12-17)14-25-22(29)18-13-19(16-9-10-16)26-21-20(18)23(30)27-24(31)28(21)4-2/h6-8,12-13,16H,3-5,9-11,14H2,1-2H3,(H,25,29)(H,27,30,31)
InChIKeyUEXAEVBCUICSDN-UHFFFAOYSA-N
XLogP3.09
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55725891
7-cyclopropyl-1-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39697732
7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 37248102
7-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37037491
7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55786643
(4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 71897602
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-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119629261
7-cyclopropyl-1-ethyl-2,4-dioxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55977632
N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266452
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119629260
7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 60553684

Frequently Asked Questions

What is the IUPAC name of N-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (CID 60555570) is N-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is CCCCOc1cccc(CNC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3CC)c1.
What is the InChIKey of N-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is UEXAEVBCUICSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-3-5-11-32-17-8-6-7-15(12-17)14-25-22(29)18-13-19(16-9-10-16)26-21-20(18)23(30)27-24(31)28(21)4-2/h6-8,12-13,16H,3-5,9-11,14H2,1-2H3,(H,25,29)(H,27,30,31).
What are the key properties of N-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
N-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 60555570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).