N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide

C15H22FN3O — CID 105387527

IUPACN-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NC(C)C2CCC2)c1F
InChIInChI=1S/C15H22FN3O/c1-3-8-17-14-13(16)12(7-9-18-14)15(20)19-10(2)11-5-4-6-11/h7,9-11H,3-6,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyITSWGIDDKWWYJS-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.96
Rot. Bonds6

About N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide

N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide (PubChem CID 105387527) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
PubChem CID105387527
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NC(C)C2CCC2)c1F
InChIInChI=1S/C15H22FN3O/c1-3-8-17-14-13(16)12(7-9-18-14)15(20)19-10(2)11-5-4-6-11/h7,9-11H,3-6,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyITSWGIDDKWWYJS-UHFFFAOYSA-N
XLogP2.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropylpropyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387388
2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 105387526
N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381268
3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide
CID 105385116
N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105385716
N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384839
3-fluoro-N-(1-methylcyclopentyl)-2-(propylamino)pyridine-4-carboxamide
CID 105386620
N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375
3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 105386978
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-fluoro-2-(propylamino)-4-pyridinyl]methanone
CID 105387091
N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384727
3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105384157

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide (CID 105387527) is N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide is CCCNc1nccc(C(=O)NC(C)C2CCC2)c1F.
What is the InChIKey of N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is ITSWGIDDKWWYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-3-8-17-14-13(16)12(7-9-18-14)15(20)19-10(2)11-5-4-6-11/h7,9-11H,3-6,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105387527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).