N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]furan-2-carboxamide

C18H13N3O4 — CID 6539748

IUPACN-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]furan-2-carboxamide
SMILESCOc1ccc(-c2cc3c(NC(=O)c4ccco4)ncnc3o2)cc1
InChIInChI=1S/C18H13N3O4/c1-23-12-6-4-11(5-7-12)15-9-13-16(19-10-20-18(13)25-15)21-17(22)14-3-2-8-24-14/h2-10H,1H3,(H,19,20,21,22)
InChIKeyQZNRCVXCWYVMOI-UHFFFAOYSA-N
MW335.32 g/mol
LogP3.74
Rot. Bonds4

About N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]furan-2-carboxamide

N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]furan-2-carboxamide (PubChem CID 6539748) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]furan-2-carboxamide
PubChem CID6539748
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC NameN-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]furan-2-carboxamide
SMILESCOc1ccc(-c2cc3c(NC(=O)c4ccco4)ncnc3o2)cc1
InChIInChI=1S/C18H13N3O4/c1-23-12-6-4-11(5-7-12)15-9-13-16(19-10-20-18(13)25-15)21-17(22)14-3-2-8-24-14/h2-10H,1H3,(H,19,20,21,22)
InChIKeyQZNRCVXCWYVMOI-UHFFFAOYSA-N
XLogP3.74
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]furan-2-carboxamide (CID 6539748) is N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]furan-2-carboxamide is COc1ccc(-c2cc3c(NC(=O)c4ccco4)ncnc3o2)cc1.
What is the InChIKey of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]furan-2-carboxamide?
The InChIKey is QZNRCVXCWYVMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4/c1-23-12-6-4-11(5-7-12)15-9-13-16(19-10-20-18(13)25-15)21-17(22)14-3-2-8-24-14/h2-10H,1H3,(H,19,20,21,22).
What are the key properties of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]furan-2-carboxamide?
N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]furan-2-carboxamide has a molecular weight of 335.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 6539748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).