[4-[(4-cyclopropyloxy-2-pyridinyl)carbamoyl]phenyl]boronic acid

C15H15BN2O4 — CID 125469685

IUPAC[4-[(4-cyclopropyloxy-2-pyridinyl)carbamoyl]phenyl]boronic acid
SMILESO=C(Nc1cc(OC2CC2)ccn1)c1ccc(B(O)O)cc1
InChIInChI=1S/C15H15BN2O4/c19-15(10-1-3-11(4-2-10)16(20)21)18-14-9-13(7-8-17-14)22-12-5-6-12/h1-4,7-9,12,20-21H,5-6H2,(H,17,18,19)
InChIKeyLJAZXAUGCLTSNH-UHFFFAOYSA-N
MW298.11 g/mol
LogP0.55
Rot. Bonds5

About [4-[(4-cyclopropyloxy-2-pyridinyl)carbamoyl]phenyl]boronic acid

[4-[(4-cyclopropyloxy-2-pyridinyl)carbamoyl]phenyl]boronic acid (PubChem CID 125469685) has the molecular formula C15H15BN2O4 and a molecular weight of 298.11 g/mol. Its IUPAC name is [4-[(4-cyclopropyloxy-2-pyridinyl)carbamoyl]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[(4-cyclopropyloxy-2-pyridinyl)carbamoyl]phenyl]boronic acid
PubChem CID125469685
Molecular FormulaC15H15BN2O4
Molecular Weight298.11 g/mol
Exact Mass298.11
IUPAC Name[4-[(4-cyclopropyloxy-2-pyridinyl)carbamoyl]phenyl]boronic acid
SMILESO=C(Nc1cc(OC2CC2)ccn1)c1ccc(B(O)O)cc1
InChIInChI=1S/C15H15BN2O4/c19-15(10-1-3-11(4-2-10)16(20)21)18-14-9-13(7-8-17-14)22-12-5-6-12/h1-4,7-9,12,20-21H,5-6H2,(H,17,18,19)
InChIKeyLJAZXAUGCLTSNH-UHFFFAOYSA-N
XLogP0.55
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-cyclopropyloxy-2-pyridinyl)carbamoyl]phenyl]boronic acid?
The IUPAC name of [4-[(4-cyclopropyloxy-2-pyridinyl)carbamoyl]phenyl]boronic acid (CID 125469685) is [4-[(4-cyclopropyloxy-2-pyridinyl)carbamoyl]phenyl]boronic acid.
What is the SMILES notation for [4-[(4-cyclopropyloxy-2-pyridinyl)carbamoyl]phenyl]boronic acid?
The canonical SMILES for [4-[(4-cyclopropyloxy-2-pyridinyl)carbamoyl]phenyl]boronic acid is O=C(Nc1cc(OC2CC2)ccn1)c1ccc(B(O)O)cc1.
What is the InChIKey of [4-[(4-cyclopropyloxy-2-pyridinyl)carbamoyl]phenyl]boronic acid?
The InChIKey is LJAZXAUGCLTSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BN2O4/c19-15(10-1-3-11(4-2-10)16(20)21)18-14-9-13(7-8-17-14)22-12-5-6-12/h1-4,7-9,12,20-21H,5-6H2,(H,17,18,19).
What are the key properties of [4-[(4-cyclopropyloxy-2-pyridinyl)carbamoyl]phenyl]boronic acid?
[4-[(4-cyclopropyloxy-2-pyridinyl)carbamoyl]phenyl]boronic acid has a molecular weight of 298.11 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-cyclopropyloxy-2-pyridinyl)carbamoyl]phenyl]boronic acid is sourced from PubChem (CID 125469685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).