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

C18H19F2N3O2 — CID 53321204

IUPAC[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1nc(C(=O)N2CCOCC2)cc(-c2ccc(F)cc2F)c1CN
InChIInChI=1S/C18H19F2N3O2/c1-11-15(10-21)14(13-3-2-12(19)8-16(13)20)9-17(22-11)18(24)23-4-6-25-7-5-23/h2-3,8-9H,4-7,10,21H2,1H3
InChIKeyJGTXNWPJDYHLGC-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.27
Rot. Bonds3

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

[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 53321204) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is [5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID53321204
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1nc(C(=O)N2CCOCC2)cc(-c2ccc(F)cc2F)c1CN
InChIInChI=1S/C18H19F2N3O2/c1-11-15(10-21)14(13-3-2-12(19)8-16(13)20)9-17(22-11)18(24)23-4-6-25-7-5-23/h2-3,8-9H,4-7,10,21H2,1H3
InChIKeyJGTXNWPJDYHLGC-UHFFFAOYSA-N
XLogP2.27
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone (CID 53321204) is [5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone is Cc1nc(C(=O)N2CCOCC2)cc(-c2ccc(F)cc2F)c1CN.
What is the InChIKey of [5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is JGTXNWPJDYHLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-11-15(10-21)14(13-3-2-12(19)8-16(13)20)9-17(22-11)18(24)23-4-6-25-7-5-23/h2-3,8-9H,4-7,10,21H2,1H3.
What are the key properties of [5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone?
[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 347.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53321204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).