N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide

C16H17FN2O — CID 61294537

IUPACN-(4-butylphenyl)-2-fluoropyridine-4-carboxamide
SMILESCCCCc1ccc(NC(=O)c2ccnc(F)c2)cc1
InChIInChI=1S/C16H17FN2O/c1-2-3-4-12-5-7-14(8-6-12)19-16(20)13-9-10-18-15(17)11-13/h5-11H,2-4H2,1H3,(H,19,20)
InChIKeyPUCYLSZVXSCGIJ-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.82
Rot. Bonds5

About N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide

N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide (PubChem CID 61294537) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-fluoropyridine-4-carboxamide
PubChem CID61294537
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-(4-butylphenyl)-2-fluoropyridine-4-carboxamide
SMILESCCCCc1ccc(NC(=O)c2ccnc(F)c2)cc1
InChIInChI=1S/C16H17FN2O/c1-2-3-4-12-5-7-14(8-6-12)19-16(20)13-9-10-18-15(17)11-13/h5-11H,2-4H2,1H3,(H,19,20)
InChIKeyPUCYLSZVXSCGIJ-UHFFFAOYSA-N
XLogP3.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107022704
2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 61293421
methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate
CID 61292895
2-fluoro-N-[4-(2-methoxyethoxy)phenyl]pyridine-4-carboxamide
CID 61295120
N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775922
2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide
CID 96565912
N-(4-butylphenyl)-4-hydroxy-3-methylbenzamide
CID 107676610
N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61295443
N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33163993
N-(4-butylphenyl)-7-fluoroquinoxaline-5-carboxamide
CID 112844513
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
N-(4-butylphenyl)-1,3-thiazole-2-carboxamide
CID 110486206

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide (CID 61294537) is N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide is CCCCc1ccc(NC(=O)c2ccnc(F)c2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide?
The InChIKey is PUCYLSZVXSCGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-2-3-4-12-5-7-14(8-6-12)19-16(20)13-9-10-18-15(17)11-13/h5-11H,2-4H2,1H3,(H,19,20).
What are the key properties of N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide?
N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide has a molecular weight of 272.32 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 61294537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).