N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1-benzofuran-2-carboxamide

C17H16N4O2 — CID 71794929

IUPACN-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cc(N2CCCC2)ncn1)c1cc2ccccc2o1
InChIInChI=1S/C17H16N4O2/c22-17(14-9-12-5-1-2-6-13(12)23-14)20-15-10-16(19-11-18-15)21-7-3-4-8-21/h1-2,5-6,9-11H,3-4,7-8H2,(H,18,19,20,22)
InChIKeyGYLAQBPIIATTPW-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.08
Rot. Bonds3

About N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1-benzofuran-2-carboxamide

N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1-benzofuran-2-carboxamide (PubChem CID 71794929) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1-benzofuran-2-carboxamide
PubChem CID71794929
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cc(N2CCCC2)ncn1)c1cc2ccccc2o1
InChIInChI=1S/C17H16N4O2/c22-17(14-9-12-5-1-2-6-13(12)23-14)20-15-10-16(19-11-18-15)21-7-3-4-8-21/h1-2,5-6,9-11H,3-4,7-8H2,(H,18,19,20,22)
InChIKeyGYLAQBPIIATTPW-UHFFFAOYSA-N
XLogP3.08
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1-benzofuran-2-carboxamide (CID 71794929) is N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1-benzofuran-2-carboxamide is O=C(Nc1cc(N2CCCC2)ncn1)c1cc2ccccc2o1.
What is the InChIKey of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1-benzofuran-2-carboxamide?
The InChIKey is GYLAQBPIIATTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(14-9-12-5-1-2-6-13(12)23-14)20-15-10-16(19-11-18-15)21-7-3-4-8-21/h1-2,5-6,9-11H,3-4,7-8H2,(H,18,19,20,22).
What are the key properties of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1-benzofuran-2-carboxamide?
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1-benzofuran-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71794929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).