N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide

C25H21N3O — CID 168823701

IUPACN-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide
SMILESO=C(Nc1cccc(Nc2ccccc2)c1)c1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C25H21N3O/c29-25(21-11-9-19(10-12-21)17-20-13-15-26-16-14-20)28-24-8-4-7-23(18-24)27-22-5-2-1-3-6-22/h1-16,18,27H,17H2,(H,28,29)
InChIKeyMFIGUWKACMOFNI-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.67
Rot. Bonds6

About N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide

N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide (PubChem CID 168823701) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide
PubChem CID168823701
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC NameN-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide
SMILESO=C(Nc1cccc(Nc2ccccc2)c1)c1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C25H21N3O/c29-25(21-11-9-19(10-12-21)17-20-13-15-26-16-14-20)28-24-8-4-7-23(18-24)27-22-5-2-1-3-6-22/h1-16,18,27H,17H2,(H,28,29)
InChIKeyMFIGUWKACMOFNI-UHFFFAOYSA-N
XLogP5.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 155404523
4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid
CID 110452968
N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157043383
4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 59458005
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 170225786
N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide
CID 17222895
4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid
CID 157295084
4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 46799159
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide (CID 168823701) is N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide is O=C(Nc1cccc(Nc2ccccc2)c1)c1ccc(Cc2ccncc2)cc1.
What is the InChIKey of N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide?
The InChIKey is MFIGUWKACMOFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c29-25(21-11-9-19(10-12-21)17-20-13-15-26-16-14-20)28-24-8-4-7-23(18-24)27-22-5-2-1-3-6-22/h1-16,18,27H,17H2,(H,28,29).
What are the key properties of N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide?
N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide has a molecular weight of 379.46 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 168823701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).