5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide

C17H20FN3O2 — CID 109228022

IUPAC5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(NCc2ccccc2F)c1
InChIInChI=1S/C17H20FN3O2/c1-23-8-4-7-20-17(22)14-9-15(12-19-10-14)21-11-13-5-2-3-6-16(13)18/h2-3,5-6,9-10,12,21H,4,7-8,11H2,1H3,(H,20,22)
InChIKeySXRMBOBMHGLTME-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.60
Rot. Bonds8

About 5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide

5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide (PubChem CID 109228022) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
PubChem CID109228022
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(NCc2ccccc2F)c1
InChIInChI=1S/C17H20FN3O2/c1-23-8-4-7-20-17(22)14-9-15(12-19-10-14)21-11-13-5-2-3-6-16(13)18/h2-3,5-6,9-10,12,21H,4,7-8,11H2,1H3,(H,20,22)
InChIKeySXRMBOBMHGLTME-UHFFFAOYSA-N
XLogP2.60
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2-methoxyphenyl)ethylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228037
5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228025
5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 109223975
N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070
methyl 3-[[5-[(2-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109233505
5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228185
N-cyclopropyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109223581
4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045263
5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103717
2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166991
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052680
N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233459

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide (CID 109228022) is 5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide is COCCCNC(=O)c1cncc(NCc2ccccc2F)c1.
What is the InChIKey of 5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide?
The InChIKey is SXRMBOBMHGLTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-23-8-4-7-20-17(22)14-9-15(12-19-10-14)21-11-13-5-2-3-6-16(13)18/h2-3,5-6,9-10,12,21H,4,7-8,11H2,1H3,(H,20,22).
What are the key properties of 5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide?
5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109228022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).