2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide

C17H20FN3O2 — CID 109166991

IUPAC2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(NCc2ccccc2F)c1
InChIInChI=1S/C17H20FN3O2/c1-23-10-4-8-20-17(22)13-7-9-19-16(11-13)21-12-14-5-2-3-6-15(14)18/h2-3,5-7,9,11H,4,8,10,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyUSXLOSBMWXCKAW-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.60
Rot. Bonds8

About 2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide

2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide (PubChem CID 109166991) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
PubChem CID109166991
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(NCc2ccccc2F)c1
InChIInChI=1S/C17H20FN3O2/c1-23-10-4-8-20-17(22)13-7-9-19-16(11-13)21-12-14-5-2-3-6-15(14)18/h2-3,5-7,9,11H,4,8,10,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyUSXLOSBMWXCKAW-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

N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109165416
2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide
CID 109170487
N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109167657
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052680
N-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167175
4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045263
5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228022
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172465
N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169978
N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide
CID 109172077
N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170520

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide (CID 109166991) is 2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide is COCCCNC(=O)c1ccnc(NCc2ccccc2F)c1.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide?
The InChIKey is USXLOSBMWXCKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-23-10-4-8-20-17(22)13-7-9-19-16(11-13)21-12-14-5-2-3-6-15(14)18/h2-3,5-7,9,11H,4,8,10,12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide?
2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-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 2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 109166991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).