[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone

C18H19F2N3O — CID 53322530

IUPAC[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(=O)N2CCCC2)cc(-c2ccc(F)cc2F)c1CN
InChIInChI=1S/C18H19F2N3O/c1-11-15(10-21)14(13-5-4-12(19)8-16(13)20)9-17(22-11)18(24)23-6-2-3-7-23/h4-5,8-9H,2-3,6-7,10,21H2,1H3
InChIKeyKPJHRZOPIFNJSW-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.03
Rot. Bonds3

About [5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone

[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 53322530) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is [5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID53322530
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(=O)N2CCCC2)cc(-c2ccc(F)cc2F)c1CN
InChIInChI=1S/C18H19F2N3O/c1-11-15(10-21)14(13-5-4-12(19)8-16(13)20)9-17(22-11)18(24)23-6-2-3-7-23/h4-5,8-9H,2-3,6-7,10,21H2,1H3
InChIKeyKPJHRZOPIFNJSW-UHFFFAOYSA-N
XLogP3.03
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(2,4-difluorophenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211385
(4-butyl-1,4-diazepan-1-yl)-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338425
[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 75387303
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
[6-(aminomethyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 82506917
(2,4-difluorophenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700346
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid
CID 119167628
[2-[[(2,4-difluorophenyl)methyl-(3-methylbutan-2-yl)amino]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42832021
[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 58924835
5-(2,4-difluorophenyl)-4-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid
CID 148685272

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 53322530) is [5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone is Cc1nc(C(=O)N2CCCC2)cc(-c2ccc(F)cc2F)c1CN.
What is the InChIKey of [5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is KPJHRZOPIFNJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-11-15(10-21)14(13-5-4-12(19)8-16(13)20)9-17(22-11)18(24)23-6-2-3-7-23/h4-5,8-9H,2-3,6-7,10,21H2,1H3.
What are the key properties of [5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 331.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53322530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).