N-[1-(1-benzofuran-2-yl)ethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C21H20N4O4 — CID 134054336

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C21H20N4O4/c1-12(17-11-13-7-5-6-8-16(13)29-17)23(2)20(27)15-10-9-14-18(22-15)24(3)21(28)25(4)19(14)26/h5-12H,1-4H3
InChIKeyFZCRPTUSOCRDDV-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.21
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 134054336) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID134054336
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C21H20N4O4/c1-12(17-11-13-7-5-6-8-16(13)29-17)23(2)20(27)15-10-9-14-18(22-15)24(3)21(28)25(4)19(14)26/h5-12H,1-4H3
InChIKeyFZCRPTUSOCRDDV-UHFFFAOYSA-N
XLogP2.21
TPSA90.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyrazine-2-carboxamide
CID 46550839
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethylbenzamide
CID 46551169
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 39976175
N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 46551193
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide
CID 39976580
6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide
CID 133350776
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 39976179
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 46551064
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 39976237
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide
CID 61164290

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 134054336) is N-[1-(1-benzofuran-2-yl)ethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is CC(c1cc2ccccc2o1)N(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is FZCRPTUSOCRDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-12(17-11-13-7-5-6-8-16(13)29-17)23(2)20(27)15-10-9-14-18(22-15)24(3)21(28)25(4)19(14)26/h5-12H,1-4H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 134054336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).