N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]pyrrolidine-1-carboxamide

C18H18N4O3 — CID 6539746

IUPACN-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(-c2cc3c(NC(=O)N4CCCC4)ncnc3o2)cc1
InChIInChI=1S/C18H18N4O3/c1-24-13-6-4-12(5-7-13)15-10-14-16(19-11-20-17(14)25-15)21-18(23)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20,21,23)
InChIKeyJLAIATWJFHZYCZ-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.53
Rot. Bonds3

About N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]pyrrolidine-1-carboxamide

N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]pyrrolidine-1-carboxamide (PubChem CID 6539746) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]pyrrolidine-1-carboxamide
PubChem CID6539746
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(-c2cc3c(NC(=O)N4CCCC4)ncnc3o2)cc1
InChIInChI=1S/C18H18N4O3/c1-24-13-6-4-12(5-7-13)15-10-14-16(19-11-20-17(14)25-15)21-18(23)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20,21,23)
InChIKeyJLAIATWJFHZYCZ-UHFFFAOYSA-N
XLogP3.53
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]pyrrolidine-1-carboxamide (CID 6539746) is N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]pyrrolidine-1-carboxamide is COc1ccc(-c2cc3c(NC(=O)N4CCCC4)ncnc3o2)cc1.
What is the InChIKey of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is JLAIATWJFHZYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-24-13-6-4-12(5-7-13)15-10-14-16(19-11-20-17(14)25-15)21-18(23)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20,21,23).
What are the key properties of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]pyrrolidine-1-carboxamide?
N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 6539746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).