N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C22H24N4O4 — CID 91949989

IUPACN-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCn1cnc2oc(C)c(C(=O)NCCCn3ccc4ccccc43)c2c1=O
InChIInChI=1S/C22H24N4O4/c1-15-18(19-21(30-15)24-14-26(22(19)28)12-13-29-2)20(27)23-9-5-10-25-11-8-16-6-3-4-7-17(16)25/h3-4,6-8,11,14H,5,9-10,12-13H2,1-2H3,(H,23,27)
InChIKeyPJYKWWYFPZWSIS-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.72
Rot. Bonds8

About N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 91949989) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID91949989
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCn1cnc2oc(C)c(C(=O)NCCCn3ccc4ccccc43)c2c1=O
InChIInChI=1S/C22H24N4O4/c1-15-18(19-21(30-15)24-14-26(22(19)28)12-13-29-2)20(27)23-9-5-10-25-11-8-16-6-3-4-7-17(16)25/h3-4,6-8,11,14H,5,9-10,12-13H2,1-2H3,(H,23,27)
InChIKeyPJYKWWYFPZWSIS-UHFFFAOYSA-N
XLogP2.72
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949893
N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide
CID 91950154
3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950002
3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
CID 39103403
3-(2-methoxyethyl)-6-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 91950069
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949960
N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950232
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950270
3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
CID 91949977
3-(3-methoxypropyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950301
N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 100815085
N-[3-(2-ethylimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949886

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 91949989) is N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is COCCn1cnc2oc(C)c(C(=O)NCCCn3ccc4ccccc43)c2c1=O.
What is the InChIKey of N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is PJYKWWYFPZWSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-15-18(19-21(30-15)24-14-26(22(19)28)12-13-29-2)20(27)23-9-5-10-25-11-8-16-6-3-4-7-17(16)25/h3-4,6-8,11,14H,5,9-10,12-13H2,1-2H3,(H,23,27).
What are the key properties of N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 91949989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).