N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C20H15FN4O4 — CID 55964443

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C20H15FN4O4/c1-11-16(17-19(28-11)23-10-25(2)20(17)27)18(26)24-13-5-8-15(22-9-13)29-14-6-3-12(21)4-7-14/h3-10H,1-2H3,(H,24,26)
InChIKeyMDWSIVZZPWZBDM-UHFFFAOYSA-N
MW394.36 g/mol
LogP3.41
Rot. Bonds4

About N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55964443) has the molecular formula C20H15FN4O4 and a molecular weight of 394.36 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID55964443
Molecular FormulaC20H15FN4O4
Molecular Weight394.36 g/mol
Exact Mass394.11
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C20H15FN4O4/c1-11-16(17-19(28-11)23-10-25(2)20(17)27)18(26)24-13-5-8-15(22-9-13)29-14-6-3-12(21)4-7-14/h3-10H,1-2H3,(H,24,26)
InChIKeyMDWSIVZZPWZBDM-UHFFFAOYSA-N
XLogP3.41
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55973160
N-[6-(dimethylamino)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 30295845
3-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 51064538
N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 40660482
3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 29231564
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55892404
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209329
N-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 35997703
N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 46300161
N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172660881
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 31218675
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209371

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 55964443) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is MDWSIVZZPWZBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O4/c1-11-16(17-19(28-11)23-10-25(2)20(17)27)18(26)24-13-5-8-15(22-9-13)29-14-6-3-12(21)4-7-14/h3-10H,1-2H3,(H,24,26).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 394.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55964443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).