(3-aminophenyl)-(6-methyl-3-pyridinyl)methanone

C13H12N2O — CID 116548510

IUPAC(3-aminophenyl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2cccc(N)c2)cn1
InChIInChI=1S/C13H12N2O/c1-9-5-6-11(8-15-9)13(16)10-3-2-4-12(14)7-10/h2-8H,14H2,1H3
InChIKeyPGHMUAGAFAMDSE-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.20
Rot. Bonds2

About (3-aminophenyl)-(6-methyl-3-pyridinyl)methanone

(3-aminophenyl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 116548510) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is (3-aminophenyl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(6-methyl-3-pyridinyl)methanone
PubChem CID116548510
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name(3-aminophenyl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2cccc(N)c2)cn1
InChIInChI=1S/C13H12N2O/c1-9-5-6-11(8-15-9)13(16)10-3-2-4-12(14)7-10/h2-8H,14H2,1H3
InChIKeyPGHMUAGAFAMDSE-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone
CID 105134421
(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
CID 69316817
[3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
CID 114971543
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
(4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone
CID 116609756
(3-aminophenyl)-phenylmethanone
CID 17817
(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 114971606
ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 176552178
(3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone
CID 107976815
(6-methyl-3-pyridinyl)-(4-phenylphenyl)methanone
CID 105103376
N-[(3-aminophenyl)methyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 43458991

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of (3-aminophenyl)-(6-methyl-3-pyridinyl)methanone (CID 116548510) is (3-aminophenyl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (3-aminophenyl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (3-aminophenyl)-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)c2cccc(N)c2)cn1.
What is the InChIKey of (3-aminophenyl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is PGHMUAGAFAMDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-9-5-6-11(8-15-9)13(16)10-3-2-4-12(14)7-10/h2-8H,14H2,1H3.
What are the key properties of (3-aminophenyl)-(6-methyl-3-pyridinyl)methanone?
(3-aminophenyl)-(6-methyl-3-pyridinyl)methanone 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 (3-aminophenyl)-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 116548510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).