3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide

C15H24FN3O — CID 105385116

IUPAC3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NC(CC)CCC)c1F
InChIInChI=1S/C15H24FN3O/c1-4-7-11(6-3)19-15(20)12-8-10-18-14(13(12)16)17-9-5-2/h8,10-11H,4-7,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyHQCHOCLCKPGMKR-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.35
Rot. Bonds8

About 3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide

3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide (PubChem CID 105385116) has the molecular formula C15H24FN3O and a molecular weight of 281.37 g/mol. Its IUPAC name is 3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide
PubChem CID105385116
Molecular FormulaC15H24FN3O
Molecular Weight281.37 g/mol
Exact Mass281.19
IUPAC Name3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NC(CC)CCC)c1F
InChIInChI=1S/C15H24FN3O/c1-4-7-11(6-3)19-15(20)12-8-10-18-14(13(12)16)17-9-5-2/h8,10-11H,4-7,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyHQCHOCLCKPGMKR-UHFFFAOYSA-N
XLogP3.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105385716
N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387527
3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 105386525
3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105384157
N-[2-(ethylamino)-2-oxoethyl]-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384867
3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 105387666
3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide
CID 105387416
3-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 105384409
3-fluoro-N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 105386819
3-fluoro-N-(1-methylcyclopentyl)-2-(propylamino)pyridine-4-carboxamide
CID 105386620
N-(2-cyclopropylpropyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387388
3-fluoro-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 105385866

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide (CID 105385116) is 3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide is CCCNc1nccc(C(=O)NC(CC)CCC)c1F.
What is the InChIKey of 3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is HQCHOCLCKPGMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-4-7-11(6-3)19-15(20)12-8-10-18-14(13(12)16)17-9-5-2/h8,10-11H,4-7,9H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide?
3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 281.37 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105385116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).