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

C17H19N3O — CID 43575481

IUPAC(3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1c(N)cccc1C(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C17H19N3O/c1-12-14(4-2-5-15(12)18)17(21)20-11-3-6-16(20)13-7-9-19-10-8-13/h2,4-5,7-10,16H,3,6,11,18H2,1H3
InChIKeyFWMXGJPMAANBKS-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.95
Rot. Bonds2

About (3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

(3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 43575481) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID43575481
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1c(N)cccc1C(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C17H19N3O/c1-12-14(4-2-5-15(12)18)17(21)20-11-3-6-16(20)13-7-9-19-10-8-13/h2,4-5,7-10,16H,3,6,11,18H2,1H3
InChIKeyFWMXGJPMAANBKS-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

(2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 43575482
(3-bromo-2-chlorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 103993846
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-amino-2-methylphenyl)methanone
CID 102725146
(3-amino-2-methylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107209984
(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40788930
(2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43575411
[2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 70744880
(3-methyl-1-benzothiophen-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24670295
(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42942674
(3-amino-2-methylphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 55076498
(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 47065787
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 43575481) is (3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is Cc1c(N)cccc1C(=O)N1CCCC1c1ccncc1.
What is the InChIKey of (3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is FWMXGJPMAANBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-14(4-2-5-15(12)18)17(21)20-11-3-6-16(20)13-7-9-19-10-8-13/h2,4-5,7-10,16H,3,6,11,18H2,1H3.
What are the key properties of (3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
(3-amino-2-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 (3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 43575481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).