4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid

C19H16N2O2 — CID 110452968

IUPAC4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid
SMILESO=C(O)c1ccc(Nc2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C19H16N2O2/c22-19(23)16-3-7-18(8-4-16)21-17-5-1-14(2-6-17)13-15-9-11-20-12-10-15/h1-12,21H,13H2,(H,22,23)
InChIKeyHPXNCNWNRVDQHB-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.11
Rot. Bonds5

About 4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid

4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid (PubChem CID 110452968) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid.

Molecular Properties

Compound Name4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid
PubChem CID110452968
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid
SMILESO=C(O)c1ccc(Nc2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C19H16N2O2/c22-19(23)16-3-7-18(8-4-16)21-17-5-1-14(2-6-17)13-15-9-11-20-12-10-15/h1-12,21H,13H2,(H,22,23)
InChIKeyHPXNCNWNRVDQHB-UHFFFAOYSA-N
XLogP4.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(4-[3,5-bis(4-carboxyanilino)anilino]benzoic acid);methanol;4-(2-pyridin-4-ylethyl)pyridine
CID 139178984
N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide
CID 168823701
4-[4-(carboxymethyl)anilino]benzoic acid
CID 82535929
4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid
CID 157295084
2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 2995900
4-(pyridin-3-ylamino)benzoic acid
CID 62231528
4-(pyridine-4-carbothioylamino)benzoic acid
CID 25218867
zinc;bis(4-(4-carboxyphenyl)benzoate);bis(N-pyridin-4-ylpyridin-4-amine)
CID 139194516
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 47102790
2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 110460952
4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 46799159

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid?
The IUPAC name of 4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid (CID 110452968) is 4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid.
What is the SMILES notation for 4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid?
The canonical SMILES for 4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid is O=C(O)c1ccc(Nc2ccc(Cc3ccncc3)cc2)cc1.
What is the InChIKey of 4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid?
The InChIKey is HPXNCNWNRVDQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-19(23)16-3-7-18(8-4-16)21-17-5-1-14(2-6-17)13-15-9-11-20-12-10-15/h1-12,21H,13H2,(H,22,23).
What are the key properties of 4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid?
4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid has a molecular weight of 304.35 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid is sourced from PubChem (CID 110452968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).