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

C18H20FN3O — CID 51356958

IUPAC[5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(=O)N2CCCC2)cc(-c2ccc(F)cc2)c1CN
InChIInChI=1S/C18H20FN3O/c1-12-16(11-20)15(13-4-6-14(19)7-5-13)10-17(21-12)18(23)22-8-2-3-9-22/h4-7,10H,2-3,8-9,11,20H2,1H3
InChIKeyHRXLRMFHWWQGLS-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.89
Rot. Bonds3

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

[5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 51356958) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is [5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID51356958
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name[5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(=O)N2CCCC2)cc(-c2ccc(F)cc2)c1CN
InChIInChI=1S/C18H20FN3O/c1-12-16(11-20)15(13-4-6-14(19)7-5-13)10-17(21-12)18(23)22-8-2-3-9-22/h4-7,10H,2-3,8-9,11,20H2,1H3
InChIKeyHRXLRMFHWWQGLS-UHFFFAOYSA-N
XLogP2.89
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 51356958) is [5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone is Cc1nc(C(=O)N2CCCC2)cc(-c2ccc(F)cc2)c1CN.
What is the InChIKey of [5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is HRXLRMFHWWQGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-12-16(11-20)15(13-4-6-14(19)7-5-13)10-17(21-12)18(23)22-8-2-3-9-22/h4-7,10H,2-3,8-9,11,20H2,1H3.
What are the key properties of [5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 313.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 51356958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).