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

C17H20FN3O — CID 109165416

IUPACN-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(NCc2ccccc2F)c1
InChIInChI=1S/C17H20FN3O/c1-2-3-9-20-17(22)13-8-10-19-16(11-13)21-12-14-6-4-5-7-15(14)18/h4-8,10-11H,2-3,9,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyMRGXBTBFLBCVOM-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.36
Rot. Bonds7

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

N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide (PubChem CID 109165416) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
PubChem CID109165416
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC NameN-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(NCc2ccccc2F)c1
InChIInChI=1S/C17H20FN3O/c1-2-3-9-20-17(22)13-8-10-19-16(11-13)21-12-14-6-4-5-7-15(14)18/h4-8,10-11H,2-3,9,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyMRGXBTBFLBCVOM-UHFFFAOYSA-N
XLogP3.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide
CID 109170487
2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166991
N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109167657
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109165425
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
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide (CID 109165416) is N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide is CCCCNC(=O)c1ccnc(NCc2ccccc2F)c1.
What is the InChIKey of N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide?
The InChIKey is MRGXBTBFLBCVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-2-3-9-20-17(22)13-8-10-19-16(11-13)21-12-14-6-4-5-7-15(14)18/h4-8,10-11H,2-3,9,12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide?
N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109165416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).