4-(dibenzylamino)pyridine-3-carboxylic acid

C20H18N2O2 — CID 130163001

IUPAC4-(dibenzylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H18N2O2/c23-20(24)18-13-21-12-11-19(18)22(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,23,24)
InChIKeyCQVRZIYWBYHPCN-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.99
Rot. Bonds6

About 4-(dibenzylamino)pyridine-3-carboxylic acid

4-(dibenzylamino)pyridine-3-carboxylic acid (PubChem CID 130163001) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(dibenzylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(dibenzylamino)pyridine-3-carboxylic acid
PubChem CID130163001
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name4-(dibenzylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H18N2O2/c23-20(24)18-13-21-12-11-19(18)22(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,23,24)
InChIKeyCQVRZIYWBYHPCN-UHFFFAOYSA-N
XLogP3.99
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(dibenzylamino)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dibenzyl-3-nitropyridin-4-amine
CID 69170535
4-(N-aminoanilino)pyridine-3-carboxylic acid
CID 121009613
4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81232826
4-[ethyl(methyl)amino]pyridine-3-carboxylic acid
CID 81233141
3-[2-cyanoethyl(pyridin-3-ylmethyl)amino]pyridine-4-carboxylic acid
CID 105062513
2-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol
CID 62115116
pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739
4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 107399152
1-[2-(dibenzylamino)phenyl]propan-1-one
CID 174718965
4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81233499
N,N-dibenzylpyridin-4-amine
CID 15006775
4-[(5-bromothiophen-3-yl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81244059

Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(dibenzylamino)pyridine-3-carboxylic acid (CID 130163001) is 4-(dibenzylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(dibenzylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(dibenzylamino)pyridine-3-carboxylic acid is O=C(O)c1cnccc1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 4-(dibenzylamino)pyridine-3-carboxylic acid?
The InChIKey is CQVRZIYWBYHPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-20(24)18-13-21-12-11-19(18)22(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,23,24).
What are the key properties of 4-(dibenzylamino)pyridine-3-carboxylic acid?
4-(dibenzylamino)pyridine-3-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 130163001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).