6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid

C15H14N2O4 — CID 100650137

IUPAC6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)N[C@@H]2CCCc3occc32)n1
InChIInChI=1S/C15H14N2O4/c18-14(11-4-1-5-12(16-11)15(19)20)17-10-3-2-6-13-9(10)7-8-21-13/h1,4-5,7-8,10H,2-3,6H2,(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyCUTCCEXXHMTRFA-SNVBAGLBSA-N
MW286.29 g/mol
LogP2.18
Rot. Bonds3

About 6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid

6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 100650137) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID100650137
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)N[C@@H]2CCCc3occc32)n1
InChIInChI=1S/C15H14N2O4/c18-14(11-4-1-5-12(16-11)15(19)20)17-10-3-2-6-13-9(10)7-8-21-13/h1,4-5,7-8,10H,2-3,6H2,(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyCUTCCEXXHMTRFA-SNVBAGLBSA-N
XLogP2.18
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid (CID 100650137) is 6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)N[C@@H]2CCCc3occc32)n1.
What is the InChIKey of 6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is CUTCCEXXHMTRFA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-14(11-4-1-5-12(16-11)15(19)20)17-10-3-2-6-13-9(10)7-8-21-13/h1,4-5,7-8,10H,2-3,6H2,(H,17,18)(H,19,20)/t10-/m1/s1.
What are the key properties of 6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid?
6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 100650137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).