[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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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).