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

C18H20FN3O2 — CID 53323866

IUPAC[5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1nc(C(=O)N2CCOCC2)cc(-c2ccc(F)cc2)c1CN
InChIInChI=1S/C18H20FN3O2/c1-12-16(11-20)15(13-2-4-14(19)5-3-13)10-17(21-12)18(23)22-6-8-24-9-7-22/h2-5,10H,6-9,11,20H2,1H3
InChIKeyMJWYTEITVFTIRJ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.13
Rot. Bonds3

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

[5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 53323866) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is [5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID53323866
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name[5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1nc(C(=O)N2CCOCC2)cc(-c2ccc(F)cc2)c1CN
InChIInChI=1S/C18H20FN3O2/c1-12-16(11-20)15(13-2-4-14(19)5-3-13)10-17(21-12)18(23)22-6-8-24-9-7-22/h2-5,10H,6-9,11,20H2,1H3
InChIKeyMJWYTEITVFTIRJ-UHFFFAOYSA-N
XLogP2.13
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone (CID 53323866) is [5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone is Cc1nc(C(=O)N2CCOCC2)cc(-c2ccc(F)cc2)c1CN.
What is the InChIKey of [5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is MJWYTEITVFTIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12-16(11-20)15(13-2-4-14(19)5-3-13)10-17(21-12)18(23)22-6-8-24-9-7-22/h2-5,10H,6-9,11,20H2,1H3.
What are the key properties of [5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone?
[5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 329.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53323866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).