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

C17H18N2O3 — CID 72947477

IUPAC2-[(6-methyl-2-pyridinyl)carbamoyl]-5-propan-2-ylbenzoic acid
SMILESCc1cccc(NC(=O)c2ccc(C(C)C)cc2C(=O)O)n1
InChIInChI=1S/C17H18N2O3/c1-10(2)12-7-8-13(14(9-12)17(21)22)16(20)19-15-6-4-5-11(3)18-15/h4-10H,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyKVTVWSRXECDHQR-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.46
Rot. Bonds4

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

2-[(6-methyl-2-pyridinyl)carbamoyl]-5-propan-2-ylbenzoic acid (PubChem CID 72947477) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)carbamoyl]-5-propan-2-ylbenzoic acid.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)carbamoyl]-5-propan-2-ylbenzoic acid
PubChem CID72947477
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[(6-methyl-2-pyridinyl)carbamoyl]-5-propan-2-ylbenzoic acid
SMILESCc1cccc(NC(=O)c2ccc(C(C)C)cc2C(=O)O)n1
InChIInChI=1S/C17H18N2O3/c1-10(2)12-7-8-13(14(9-12)17(21)22)16(20)19-15-6-4-5-11(3)18-15/h4-10H,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyKVTVWSRXECDHQR-UHFFFAOYSA-N
XLogP3.46
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Pyridin-2-yl)carbamoyl]benzoic acid
CID 671082
2-((6-Methylpyridin-2-yl)carbamoyl)-5-(trifluoromethyl)benzoic acid
CID 72706115
5-Bromo-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 72947276
4,5-Dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 72947483
2-[(5,6-Dimethylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid
CID 72947893
2-(5,6,7,8-Tetrahydroquinolin-2-ylcarbamoyl)-5-(trifluoromethyl)benzoic acid
CID 72947894
3-[[6-(4-Hydroxy-1-piperidyl)-3-methyl-pyridine-2-carbonyl]amino]-2,4-dimethyl-benzoic acid
CID 86707344
3-[[6-[3-(Hydroxymethyl)-1-piperidyl]-3-methyl-pyridine-2-carbonyl]amino]-2,4-dimethyl-benzoic acid
CID 86707350
3-[[6-(4-Hydroxy-4-methyl-1-piperidyl)-3-methyl-pyridine-2-carbonyl]amino]-2,4-dimethyl-benzoic acid
CID 86707355
5-Chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 72947279
5-Methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 72947476
2-[(6-Methyl-2-pyridinyl)carbamoyl]-5-nitrobenzoic acid
CID 72947478

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)carbamoyl]-5-propan-2-ylbenzoic acid?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)carbamoyl]-5-propan-2-ylbenzoic acid (CID 72947477) is 2-[(6-methyl-2-pyridinyl)carbamoyl]-5-propan-2-ylbenzoic acid.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)carbamoyl]-5-propan-2-ylbenzoic acid?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)carbamoyl]-5-propan-2-ylbenzoic acid is Cc1cccc(NC(=O)c2ccc(C(C)C)cc2C(=O)O)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)carbamoyl]-5-propan-2-ylbenzoic acid?
The InChIKey is KVTVWSRXECDHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-10(2)12-7-8-13(14(9-12)17(21)22)16(20)19-15-6-4-5-11(3)18-15/h4-10H,1-3H3,(H,21,22)(H,18,19,20).
What are the key properties of 2-[(6-methyl-2-pyridinyl)carbamoyl]-5-propan-2-ylbenzoic acid?
2-[(6-methyl-2-pyridinyl)carbamoyl]-5-propan-2-ylbenzoic acid has a molecular weight of 298.34 g/mol, XLogP of 3.46, 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-propan-2-ylbenzoic acid is sourced from PubChem (CID 72947477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).