2-[(6-methyl-2-pyridinyl)carbamoyl]-5-phenylbenzoic acid

C20H16N2O3 — CID 72947479

IUPAC2-[(6-methyl-2-pyridinyl)carbamoyl]-5-phenylbenzoic acid
SMILESCc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2C(=O)O)n1
InChIInChI=1S/C20H16N2O3/c1-13-6-5-9-18(21-13)22-19(23)16-11-10-15(12-17(16)20(24)25)14-7-3-2-4-8-14/h2-12H,1H3,(H,24,25)(H,21,22,23)
InChIKeyIXGZICVBTAXKPM-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.01
Rot. Bonds4

About 2-[(6-methyl-2-pyridinyl)carbamoyl]-5-phenylbenzoic acid

2-[(6-methyl-2-pyridinyl)carbamoyl]-5-phenylbenzoic acid (PubChem CID 72947479) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)carbamoyl]-5-phenylbenzoic acid.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)carbamoyl]-5-phenylbenzoic acid
PubChem CID72947479
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name2-[(6-methyl-2-pyridinyl)carbamoyl]-5-phenylbenzoic acid
SMILESCc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2C(=O)O)n1
InChIInChI=1S/C20H16N2O3/c1-13-6-5-9-18(21-13)22-19(23)16-11-10-15(12-17(16)20(24)25)14-7-3-2-4-8-14/h2-12H,1H3,(H,24,25)(H,21,22,23)
InChIKeyIXGZICVBTAXKPM-UHFFFAOYSA-N
XLogP4.01
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)carbamoyl]-5-phenylbenzoic acid?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)carbamoyl]-5-phenylbenzoic acid (CID 72947479) is 2-[(6-methyl-2-pyridinyl)carbamoyl]-5-phenylbenzoic acid.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)carbamoyl]-5-phenylbenzoic acid?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)carbamoyl]-5-phenylbenzoic acid is Cc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2C(=O)O)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)carbamoyl]-5-phenylbenzoic acid?
The InChIKey is IXGZICVBTAXKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-13-6-5-9-18(21-13)22-19(23)16-11-10-15(12-17(16)20(24)25)14-7-3-2-4-8-14/h2-12H,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 2-[(6-methyl-2-pyridinyl)carbamoyl]-5-phenylbenzoic acid?
2-[(6-methyl-2-pyridinyl)carbamoyl]-5-phenylbenzoic acid has a molecular weight of 332.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)carbamoyl]-5-phenylbenzoic acid is sourced from PubChem (CID 72947479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).