N-[2-(furan-2-yl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

C17H18N4O4 — CID 53085396

IUPACN-[2-(furan-2-yl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cc(C(=O)NCCc2ccco2)c2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C17H18N4O4/c1-10-9-12(15(22)18-7-6-11-5-4-8-25-11)13-14(19-10)20(2)17(24)21(3)16(13)23/h4-5,8-9H,6-7H2,1-3H3,(H,18,22)
InChIKeyBJAWAOBJCMQALT-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.51
Rot. Bonds4

About N-[2-(furan-2-yl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

N-[2-(furan-2-yl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53085396) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID53085396
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-[2-(furan-2-yl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cc(C(=O)NCCc2ccco2)c2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C17H18N4O4/c1-10-9-12(15(22)18-7-6-11-5-4-8-25-11)13-14(19-10)20(2)17(24)21(3)16(13)23/h4-5,8-9H,6-7H2,1-3H3,(H,18,22)
InChIKeyBJAWAOBJCMQALT-UHFFFAOYSA-N
XLogP0.51
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(furan-2-yl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53085401
N-[2-(furan-2-yl)ethyl]-2,6-dimethylquinoline-4-carboxamide
CID 18109779
1,3,7-trimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53007746
N-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53085393
1,3,7-trimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 93068970
2-(1,3-dimethyl-2,4-dioxo-7-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 5310098
5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 65309421
N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 113400267
8-[2-(furan-2-yl)ethylamino]-1,3-dimethyl-7H-purine-2,6-dione
CID 61023544
3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 61140792
N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47015184
5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide
CID 103296184

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (CID 53085396) is N-[2-(furan-2-yl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is Cc1cc(C(=O)NCCc2ccco2)c2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is BJAWAOBJCMQALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-10-9-12(15(22)18-7-6-11-5-4-8-25-11)13-14(19-10)20(2)17(24)21(3)16(13)23/h4-5,8-9H,6-7H2,1-3H3,(H,18,22).
What are the key properties of N-[2-(furan-2-yl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
N-[2-(furan-2-yl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53085396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).