5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide

C16H18FN3O — CID 109224645

IUPAC5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
SMILESCCCCNc1cncc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H18FN3O/c1-2-3-8-19-13-9-12(10-18-11-13)16(21)20-15-7-5-4-6-14(15)17/h4-7,9-11,19H,2-3,8H2,1H3,(H,20,21)
InChIKeyXWTKADHOZSHMTR-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.68
Rot. Bonds6

About 5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide

5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide (PubChem CID 109224645) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
PubChem CID109224645
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
SMILESCCCCNc1cncc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H18FN3O/c1-2-3-8-19-13-9-12(10-18-11-13)16(21)20-15-7-5-4-6-14(15)17/h4-7,9-11,19H,2-3,8H2,1H3,(H,20,21)
InChIKeyXWTKADHOZSHMTR-UHFFFAOYSA-N
XLogP3.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.68
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

N-(2-fluorophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223073
3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109102018
5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109225415
N-(2-bromophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223122
5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762
5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109180924
5-(2-fluoroanilino)-N-propylpyridine-3-carboxamide
CID 109222874
5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109240389
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109224708
5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223099
N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240144

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide (CID 109224645) is 5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide is CCCCNc1cncc(C(=O)Nc2ccccc2F)c1.
What is the InChIKey of 5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is XWTKADHOZSHMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-3-8-19-13-9-12(10-18-11-13)16(21)20-15-7-5-4-6-14(15)17/h4-7,9-11,19H,2-3,8H2,1H3,(H,20,21).
What are the key properties of 5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109224645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).