2-[[2-(4-methylphenyl)-4-pyridinyl]amino]benzamide

C19H17N3O — CID 117077072

IUPAC2-[[2-(4-methylphenyl)-4-pyridinyl]amino]benzamide
SMILESCc1ccc(-c2cc(Nc3ccccc3C(N)=O)ccn2)cc1
InChIInChI=1S/C19H17N3O/c1-13-6-8-14(9-7-13)18-12-15(10-11-21-18)22-17-5-3-2-4-16(17)19(20)23/h2-12H,1H3,(H2,20,23)(H,21,22)
InChIKeyYGVCPMGTSAEXQA-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.90
Rot. Bonds4

About 2-[[2-(4-methylphenyl)-4-pyridinyl]amino]benzamide

2-[[2-(4-methylphenyl)-4-pyridinyl]amino]benzamide (PubChem CID 117077072) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[[2-(4-methylphenyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(4-methylphenyl)-4-pyridinyl]amino]benzamide
PubChem CID117077072
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-[[2-(4-methylphenyl)-4-pyridinyl]amino]benzamide
SMILESCc1ccc(-c2cc(Nc3ccccc3C(N)=O)ccn2)cc1
InChIInChI=1S/C19H17N3O/c1-13-6-8-14(9-7-13)18-12-15(10-11-21-18)22-17-5-3-2-4-16(17)19(20)23/h2-12H,1H3,(H2,20,23)(H,21,22)
InChIKeyYGVCPMGTSAEXQA-UHFFFAOYSA-N
XLogP3.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide
CID 117077466
2-(3-phenylanilino)benzamide
CID 44596232
N-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108529456
2-(naphthalen-2-ylamino)benzamide
CID 70089831
2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide
CID 175986864
ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109219823
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
4-(3-methylanilino)pyridine-3-carboxamide
CID 69304920
2-(4-ethylanilino)benzamide
CID 177472959
2-(quinolin-4-ylamino)benzamide;dihydrochloride
CID 143657459
ethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220888
2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide
CID 117076911

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylphenyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of 2-[[2-(4-methylphenyl)-4-pyridinyl]amino]benzamide (CID 117077072) is 2-[[2-(4-methylphenyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(4-methylphenyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for 2-[[2-(4-methylphenyl)-4-pyridinyl]amino]benzamide is Cc1ccc(-c2cc(Nc3ccccc3C(N)=O)ccn2)cc1.
What is the InChIKey of 2-[[2-(4-methylphenyl)-4-pyridinyl]amino]benzamide?
The InChIKey is YGVCPMGTSAEXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13-6-8-14(9-7-13)18-12-15(10-11-21-18)22-17-5-3-2-4-16(17)19(20)23/h2-12H,1H3,(H2,20,23)(H,21,22).
What are the key properties of 2-[[2-(4-methylphenyl)-4-pyridinyl]amino]benzamide?
2-[[2-(4-methylphenyl)-4-pyridinyl]amino]benzamide has a molecular weight of 303.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylphenyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 117077072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).