3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide

C16H26FN3O — CID 107818020

IUPAC3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCCCCCC(C)C)c1F
InChIInChI=1S/C16H26FN3O/c1-12(2)8-6-4-5-7-10-20-16(21)13-9-11-19-15(18-3)14(13)17/h9,11-12H,4-8,10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyKXSVWTZAXMJFMA-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.60
Rot. Bonds9

About 3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide

3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide (PubChem CID 107818020) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
PubChem CID107818020
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCCCCCC(C)C)c1F
InChIInChI=1S/C16H26FN3O/c1-12(2)8-6-4-5-7-10-20-16(21)13-9-11-19-15(18-3)14(13)17/h9,11-12H,4-8,10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyKXSVWTZAXMJFMA-UHFFFAOYSA-N
XLogP3.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.60
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

2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 105380997
3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015195
3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 105387455
N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385470
N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384594
3-fluoro-2-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 105385761
N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387425
N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387404
3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 105384158
3-fluoro-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295596
2-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 115327334
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 106241241

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide (CID 107818020) is 3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide is CNc1nccc(C(=O)NCCCCCCC(C)C)c1F.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide?
The InChIKey is KXSVWTZAXMJFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-12(2)8-6-4-5-7-10-20-16(21)13-9-11-19-15(18-3)14(13)17/h9,11-12H,4-8,10H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide?
3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide has a molecular weight of 295.40 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide is sourced from PubChem (CID 107818020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).