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

C13H13N3O — CID 90134463

IUPAC4-[(2-methyl-4-pyridinyl)amino]benzamide
SMILESCc1cc(Nc2ccc(C(N)=O)cc2)ccn1
InChIInChI=1S/C13H13N3O/c1-9-8-12(6-7-15-9)16-11-4-2-10(3-5-11)13(14)17/h2-8H,1H3,(H2,14,17)(H,15,16)
InChIKeyZDAREFXCWRCZIT-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.23
Rot. Bonds3

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

4-[(2-methyl-4-pyridinyl)amino]benzamide (PubChem CID 90134463) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-[(2-methyl-4-pyridinyl)amino]benzamide.

Molecular Properties

Compound Name4-[(2-methyl-4-pyridinyl)amino]benzamide
PubChem CID90134463
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name4-[(2-methyl-4-pyridinyl)amino]benzamide
SMILESCc1cc(Nc2ccc(C(N)=O)cc2)ccn1
InChIInChI=1S/C13H13N3O/c1-9-8-12(6-7-15-9)16-11-4-2-10(3-5-11)13(14)17/h2-8H,1H3,(H2,14,17)(H,15,16)
InChIKeyZDAREFXCWRCZIT-UHFFFAOYSA-N
XLogP2.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157044269
4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide
CID 157044209
4-(4-carbamothioyl-3-methylanilino)benzamide
CID 81279521
3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157042720
5-N-(2-methyl-4-pyridinyl)pyridine-2,5-diamine
CID 157043905
1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea
CID 84521860
4-(methylamino)-N-(2-methyl-4-pyridinyl)benzamide
CID 79240980
N-(4-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108530485
4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane
CID 157043483
4-amino-3-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 79234917
methyl N-(2-methyl-4-pyridinyl)carbamate
CID 110756833
4-[(5-methyl-6-oxobenzo[c][1,8]naphthyridin-9-yl)amino]benzamide
CID 163558887

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-4-pyridinyl)amino]benzamide?
The IUPAC name of 4-[(2-methyl-4-pyridinyl)amino]benzamide (CID 90134463) is 4-[(2-methyl-4-pyridinyl)amino]benzamide.
What is the SMILES notation for 4-[(2-methyl-4-pyridinyl)amino]benzamide?
The canonical SMILES for 4-[(2-methyl-4-pyridinyl)amino]benzamide is Cc1cc(Nc2ccc(C(N)=O)cc2)ccn1.
What is the InChIKey of 4-[(2-methyl-4-pyridinyl)amino]benzamide?
The InChIKey is ZDAREFXCWRCZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-8-12(6-7-15-9)16-11-4-2-10(3-5-11)13(14)17/h2-8H,1H3,(H2,14,17)(H,15,16).
What are the key properties of 4-[(2-methyl-4-pyridinyl)amino]benzamide?
4-[(2-methyl-4-pyridinyl)amino]benzamide has a molecular weight of 227.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-4-pyridinyl)amino]benzamide is sourced from PubChem (CID 90134463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).