4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid

C27H23N3O3 — CID 66990541

IUPAC4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
SMILESCN(C)c1cccc(-c2ccc(C(=O)O)c(NC(=O)c3cncc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C27H23N3O3/c1-30(2)23-10-6-9-19(14-23)20-11-12-24(27(32)33)25(15-20)29-26(31)22-13-21(16-28-17-22)18-7-4-3-5-8-18/h3-17H,1-2H3,(H,29,31)(H,32,33)
InChIKeyUKWQVFVMUJKAGY-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.43
Rot. Bonds6

About 4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid

4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid (PubChem CID 66990541) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
PubChem CID66990541
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
SMILESCN(C)c1cccc(-c2ccc(C(=O)O)c(NC(=O)c3cncc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C27H23N3O3/c1-30(2)23-10-6-9-19(14-23)20-11-12-24(27(32)33)25(15-20)29-26(31)22-13-21(16-28-17-22)18-7-4-3-5-8-18/h3-17H,1-2H3,(H,29,31)(H,32,33)
InChIKeyUKWQVFVMUJKAGY-UHFFFAOYSA-N
XLogP5.43
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
CID 173036826
sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride
CID 173036822
4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
CID 58508839
2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid
CID 87408033
sodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate
CID 58508541
sodium;hydride;2-[(5-phenylpyridine-3-carbonyl)amino]-4-pyrazol-1-ylbenzoic acid
CID 173036791
N,5-diphenylpyridine-3-carboxamide
CID 110683714
2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
N-(2-bromophenyl)-5-phenylpyridine-3-carboxamide
CID 99705381
4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
CID 58508716
tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate
CID 58508706
N-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide
CID 159869900

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid (CID 66990541) is 4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid is CN(C)c1cccc(-c2ccc(C(=O)O)c(NC(=O)c3cncc(-c4ccccc4)c3)c2)c1.
What is the InChIKey of 4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is UKWQVFVMUJKAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-30(2)23-10-6-9-19(14-23)20-11-12-24(27(32)33)25(15-20)29-26(31)22-13-21(16-28-17-22)18-7-4-3-5-8-18/h3-17H,1-2H3,(H,29,31)(H,32,33).
What are the key properties of 4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid?
4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 437.50 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 66990541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).