(2-amino-4-methylphenyl)-pyridin-4-ylmethanone

C13H12N2O — CID 69388421

IUPAC(2-amino-4-methylphenyl)-pyridin-4-ylmethanone
SMILESCc1ccc(C(=O)c2ccncc2)c(N)c1
InChIInChI=1S/C13H12N2O/c1-9-2-3-11(12(14)8-9)13(16)10-4-6-15-7-5-10/h2-8H,14H2,1H3
InChIKeyRQAUQMQPTGLQPT-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.20
Rot. Bonds2

About (2-amino-4-methylphenyl)-pyridin-4-ylmethanone

(2-amino-4-methylphenyl)-pyridin-4-ylmethanone (PubChem CID 69388421) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is (2-amino-4-methylphenyl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(2-amino-4-methylphenyl)-pyridin-4-ylmethanone
PubChem CID69388421
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name(2-amino-4-methylphenyl)-pyridin-4-ylmethanone
SMILESCc1ccc(C(=O)c2ccncc2)c(N)c1
InChIInChI=1S/C13H12N2O/c1-9-2-3-11(12(14)8-9)13(16)10-4-6-15-7-5-10/h2-8H,14H2,1H3
InChIKeyRQAUQMQPTGLQPT-UHFFFAOYSA-N
XLogP2.20
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-amino-4-(pyridine-4-carbonyl)phenyl]-pyridin-4-ylmethanone
CID 176900459
[2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone
CID 134627387
[2-[4-iodo-2-(pyridine-4-carbonyl)phenyl]-5-methylphenyl]-pyridin-4-ylmethanone
CID 163854266
pyridin-4-yl-(2,3,4-trimethylphenyl)methanone
CID 157331171
(2-methylphenyl)-pyridin-4-ylmethanone
CID 19957162
2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701849
[4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone
CID 118829696
(E)-2-amino-3-(2-amino-4-methylphenyl)-3-hydroxyprop-2-enoic acid;ethane;yttrium
CID 142087139
1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone
CID 14765290
(2,4-dimethylphenyl) pyridine-4-carboxylate
CID 836824
(E)-2-amino-3-(2-amino-4-methylphenyl)-3-hydroxyprop-2-enoic acid
CID 142087140
[2-amino-5-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 134627389

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methylphenyl)-pyridin-4-ylmethanone?
The IUPAC name of (2-amino-4-methylphenyl)-pyridin-4-ylmethanone (CID 69388421) is (2-amino-4-methylphenyl)-pyridin-4-ylmethanone.
What is the SMILES notation for (2-amino-4-methylphenyl)-pyridin-4-ylmethanone?
The canonical SMILES for (2-amino-4-methylphenyl)-pyridin-4-ylmethanone is Cc1ccc(C(=O)c2ccncc2)c(N)c1.
What is the InChIKey of (2-amino-4-methylphenyl)-pyridin-4-ylmethanone?
The InChIKey is RQAUQMQPTGLQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-9-2-3-11(12(14)8-9)13(16)10-4-6-15-7-5-10/h2-8H,14H2,1H3.
What are the key properties of (2-amino-4-methylphenyl)-pyridin-4-ylmethanone?
(2-amino-4-methylphenyl)-pyridin-4-ylmethanone has a molecular weight of 212.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methylphenyl)-pyridin-4-ylmethanone is sourced from PubChem (CID 69388421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).