(2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

C17H19N3O — CID 43575482

IUPAC(2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1cccc(N)c1C(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C17H19N3O/c1-12-4-2-5-14(18)16(12)17(21)20-11-3-6-15(20)13-7-9-19-10-8-13/h2,4-5,7-10,15H,3,6,11,18H2,1H3
InChIKeyZHGPLWSPVXYAMS-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.95
Rot. Bonds2

About (2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

(2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 43575482) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID43575482
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1cccc(N)c1C(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C17H19N3O/c1-12-4-2-5-14(18)16(12)17(21)20-11-3-6-15(20)13-7-9-19-10-8-13/h2,4-5,7-10,15H,3,6,11,18H2,1H3
InChIKeyZHGPLWSPVXYAMS-UHFFFAOYSA-N
XLogP2.95
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.95
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-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 43575481
(2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 61110649
(2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 63658212
(2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43575411
(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42942674
(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 47065787
(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46632632
(2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053615
(3-methyl-1-benzothiophen-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24670295
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
(4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939220

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 43575482) is (2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is Cc1cccc(N)c1C(=O)N1CCCC1c1ccncc1.
What is the InChIKey of (2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is ZHGPLWSPVXYAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-4-2-5-14(18)16(12)17(21)20-11-3-6-15(20)13-7-9-19-10-8-13/h2,4-5,7-10,15H,3,6,11,18H2,1H3.
What are the key properties of (2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
(2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 43575482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).