N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide

C16H18FN3O — CID 113009457

IUPACN-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide
SMILESCCCCNc1ccc(NC(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C16H18FN3O/c1-2-3-9-18-15-8-7-14(11-19-15)20-16(21)12-5-4-6-13(17)10-12/h4-8,10-11H,2-3,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyQAKDAVOYBHYQFB-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.68
Rot. Bonds6

About N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide

N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide (PubChem CID 113009457) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide
PubChem CID113009457
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide
SMILESCCCCNc1ccc(NC(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C16H18FN3O/c1-2-3-9-18-15-8-7-14(11-19-15)20-16(21)12-5-4-6-13(17)10-12/h4-8,10-11H,2-3,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyQAKDAVOYBHYQFB-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

3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide
CID 113009042
N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468
3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide
CID 113025164
N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide
CID 113023966
N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide
CID 109151637
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3-fluorobenzamide
CID 113012280
N-[6-(butylamino)-3-pyridinyl]acetamide
CID 113009439
3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide
CID 113012780
3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024101
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314
N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113021858

Frequently Asked Questions

What is the IUPAC name of N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide?
The IUPAC name of N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide (CID 113009457) is N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide.
What is the SMILES notation for N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide?
The canonical SMILES for N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide is CCCCNc1ccc(NC(=O)c2cccc(F)c2)cn1.
What is the InChIKey of N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide?
The InChIKey is QAKDAVOYBHYQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-3-9-18-15-8-7-14(11-19-15)20-16(21)12-5-4-6-13(17)10-12/h4-8,10-11H,2-3,9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide?
N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide 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 N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide is sourced from PubChem (CID 113009457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).