[2-[(4-amino-5-methyl-3-pyridinyl)amino]phenyl]-phenylmethanone

C19H17N3O — CID 54499105

IUPAC[2-[(4-amino-5-methyl-3-pyridinyl)amino]phenyl]-phenylmethanone
SMILESCc1cncc(Nc2ccccc2C(=O)c2ccccc2)c1N
InChIInChI=1S/C19H17N3O/c1-13-11-21-12-17(18(13)20)22-16-10-6-5-9-15(16)19(23)14-7-3-2-4-8-14/h2-12,22H,1H3,(H2,20,21)
InChIKeyYBEPEAVHTXMZRZ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.95
Rot. Bonds4

About [2-[(4-amino-5-methyl-3-pyridinyl)amino]phenyl]-phenylmethanone

[2-[(4-amino-5-methyl-3-pyridinyl)amino]phenyl]-phenylmethanone (PubChem CID 54499105) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is [2-[(4-amino-5-methyl-3-pyridinyl)amino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[(4-amino-5-methyl-3-pyridinyl)amino]phenyl]-phenylmethanone
PubChem CID54499105
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name[2-[(4-amino-5-methyl-3-pyridinyl)amino]phenyl]-phenylmethanone
SMILESCc1cncc(Nc2ccccc2C(=O)c2ccccc2)c1N
InChIInChI=1S/C19H17N3O/c1-13-11-21-12-17(18(13)20)22-16-10-6-5-9-15(16)19(23)14-7-3-2-4-8-14/h2-12,22H,1H3,(H2,20,21)
InChIKeyYBEPEAVHTXMZRZ-UHFFFAOYSA-N
XLogP3.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-aminoanilino)phenyl]-phenylmethanone
CID 134442621
2-(2-benzoylanilino)-3-methylbenzoic acid
CID 22294681
[4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone
CID 11324104
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
bis(2-anilinophenyl)methanone
CID 141301141
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
(2-aminophenyl)-phenylmethanone
CID 158207972
[2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 87869649
diethyl 2-[(2-benzoylanilino)methylidene]propanedioate
CID 45050878
1-benzoyl-2-(sulfinoamino)benzene
CID 23299444
N-(2-benzoylphenyl)-2-oxo-2-phenylacetamide
CID 614189
2-[[2-(2-benzoylanilino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771914

Frequently Asked Questions

What is the IUPAC name of [2-[(4-amino-5-methyl-3-pyridinyl)amino]phenyl]-phenylmethanone?
The IUPAC name of [2-[(4-amino-5-methyl-3-pyridinyl)amino]phenyl]-phenylmethanone (CID 54499105) is [2-[(4-amino-5-methyl-3-pyridinyl)amino]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[(4-amino-5-methyl-3-pyridinyl)amino]phenyl]-phenylmethanone?
The canonical SMILES for [2-[(4-amino-5-methyl-3-pyridinyl)amino]phenyl]-phenylmethanone is Cc1cncc(Nc2ccccc2C(=O)c2ccccc2)c1N.
What is the InChIKey of [2-[(4-amino-5-methyl-3-pyridinyl)amino]phenyl]-phenylmethanone?
The InChIKey is YBEPEAVHTXMZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13-11-21-12-17(18(13)20)22-16-10-6-5-9-15(16)19(23)14-7-3-2-4-8-14/h2-12,22H,1H3,(H2,20,21).
What are the key properties of [2-[(4-amino-5-methyl-3-pyridinyl)amino]phenyl]-phenylmethanone?
[2-[(4-amino-5-methyl-3-pyridinyl)amino]phenyl]-phenylmethanone has a molecular weight of 303.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-amino-5-methyl-3-pyridinyl)amino]phenyl]-phenylmethanone is sourced from PubChem (CID 54499105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).