2-[(5,6-dimethyl-2-pyridinyl)carbamoyl]-4,5-dimethylbenzoic acid

C17H18N2O3 — CID 118593260

IUPAC2-[(5,6-dimethyl-2-pyridinyl)carbamoyl]-4,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)c(C(=O)Nc2ccc(C)c(C)n2)cc1C
InChIInChI=1S/C17H18N2O3/c1-9-5-6-15(18-12(9)4)19-16(20)13-7-10(2)11(3)8-14(13)17(21)22/h5-8H,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyNAWYAMCPEHMVDO-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.27
Rot. Bonds3

About 2-[(5,6-dimethyl-2-pyridinyl)carbamoyl]-4,5-dimethylbenzoic acid

2-[(5,6-dimethyl-2-pyridinyl)carbamoyl]-4,5-dimethylbenzoic acid (PubChem CID 118593260) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-2-pyridinyl)carbamoyl]-4,5-dimethylbenzoic acid.

Molecular Properties

Compound Name2-[(5,6-dimethyl-2-pyridinyl)carbamoyl]-4,5-dimethylbenzoic acid
PubChem CID118593260
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[(5,6-dimethyl-2-pyridinyl)carbamoyl]-4,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)c(C(=O)Nc2ccc(C)c(C)n2)cc1C
InChIInChI=1S/C17H18N2O3/c1-9-5-6-15(18-12(9)4)19-16(20)13-7-10(2)11(3)8-14(13)17(21)22/h5-8H,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyNAWYAMCPEHMVDO-UHFFFAOYSA-N
XLogP3.27
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-2-pyridinyl)carbamoyl]-4,5-dimethylbenzoic acid?
The IUPAC name of 2-[(5,6-dimethyl-2-pyridinyl)carbamoyl]-4,5-dimethylbenzoic acid (CID 118593260) is 2-[(5,6-dimethyl-2-pyridinyl)carbamoyl]-4,5-dimethylbenzoic acid.
What is the SMILES notation for 2-[(5,6-dimethyl-2-pyridinyl)carbamoyl]-4,5-dimethylbenzoic acid?
The canonical SMILES for 2-[(5,6-dimethyl-2-pyridinyl)carbamoyl]-4,5-dimethylbenzoic acid is Cc1cc(C(=O)O)c(C(=O)Nc2ccc(C)c(C)n2)cc1C.
What is the InChIKey of 2-[(5,6-dimethyl-2-pyridinyl)carbamoyl]-4,5-dimethylbenzoic acid?
The InChIKey is NAWYAMCPEHMVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-9-5-6-15(18-12(9)4)19-16(20)13-7-10(2)11(3)8-14(13)17(21)22/h5-8H,1-4H3,(H,21,22)(H,18,19,20).
What are the key properties of 2-[(5,6-dimethyl-2-pyridinyl)carbamoyl]-4,5-dimethylbenzoic acid?
2-[(5,6-dimethyl-2-pyridinyl)carbamoyl]-4,5-dimethylbenzoic acid has a molecular weight of 298.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-2-pyridinyl)carbamoyl]-4,5-dimethylbenzoic acid is sourced from PubChem (CID 118593260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).