N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide

C13H18FN3O — CID 105387404

IUPACN-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCC2CCC2)c1F
InChIInChI=1S/C13H18FN3O/c1-15-12-11(14)10(6-8-16-12)13(18)17-7-5-9-3-2-4-9/h6,8-9H,2-5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyHSRUSNXGUNBAQK-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.18
Rot. Bonds5

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

N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide (PubChem CID 105387404) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
PubChem CID105387404
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC NameN-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCC2CCC2)c1F
InChIInChI=1S/C13H18FN3O/c1-15-12-11(14)10(6-8-16-12)13(18)17-7-5-9-3-2-4-9/h6,8-9H,2-5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyHSRUSNXGUNBAQK-UHFFFAOYSA-N
XLogP2.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385094
3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 105385671
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105386266
N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387425
3-fluoro-2-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 105388388
N-(2-cyclopentylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62180220
N-(3-cyclopentylpropyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 106012747
N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384594
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
3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818020
3-fluoro-2-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 105385761

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide (CID 105387404) is N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide is CNc1nccc(C(=O)NCCC2CCC2)c1F.
What is the InChIKey of N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is HSRUSNXGUNBAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-15-12-11(14)10(6-8-16-12)13(18)17-7-5-9-3-2-4-9/h6,8-9H,2-5,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105387404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).