2-[[6-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid

C23H23N3O3 — CID 25187852

IUPAC2-[[6-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(Nc2cnc(-c3cccc(C(=O)N(C)C)c3)c(C)c2)c(C(=O)O)c1
InChIInChI=1S/C23H23N3O3/c1-14-8-9-20(19(10-14)23(28)29)25-18-11-15(2)21(24-13-18)16-6-5-7-17(12-16)22(27)26(3)4/h5-13,25H,1-4H3,(H,28,29)
InChIKeyPJINGPUYDCLIIY-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.51
Rot. Bonds5

About 2-[[6-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid

2-[[6-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid (PubChem CID 25187852) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[[6-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[6-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
PubChem CID25187852
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-[[6-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(Nc2cnc(-c3cccc(C(=O)N(C)C)c3)c(C)c2)c(C(=O)O)c1
InChIInChI=1S/C23H23N3O3/c1-14-8-9-20(19(10-14)23(28)29)25-18-11-15(2)21(24-13-18)16-6-5-7-17(12-16)22(27)26(3)4/h5-13,25H,1-4H3,(H,28,29)
InChIKeyPJINGPUYDCLIIY-UHFFFAOYSA-N
XLogP4.51
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[6-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid (CID 25187852) is 2-[[6-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[6-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[6-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid is Cc1ccc(Nc2cnc(-c3cccc(C(=O)N(C)C)c3)c(C)c2)c(C(=O)O)c1.
What is the InChIKey of 2-[[6-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The InChIKey is PJINGPUYDCLIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14-8-9-20(19(10-14)23(28)29)25-18-11-15(2)21(24-13-18)16-6-5-7-17(12-16)22(27)26(3)4/h5-13,25H,1-4H3,(H,28,29).
What are the key properties of 2-[[6-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
2-[[6-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid has a molecular weight of 389.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 25187852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).