N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoropyridine-4-carboxamide

C14H20FN3O — CID 79711836

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoropyridine-4-carboxamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1ccncc1F
InChIInChI=1S/C14H20FN3O/c1-13(2)11(16)14(3,4)12(13)18-10(19)8-5-6-17-7-9(8)15/h5-7,11-12H,16H2,1-4H3,(H,18,19)
InChIKeyLYYWEUYSPQDPJL-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.71
Rot. Bonds2

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoropyridine-4-carboxamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoropyridine-4-carboxamide (PubChem CID 79711836) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoropyridine-4-carboxamide
PubChem CID79711836
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoropyridine-4-carboxamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1ccncc1F
InChIInChI=1S/C14H20FN3O/c1-13(2)11(16)14(3,4)12(13)18-10(19)8-5-6-17-7-9(8)15/h5-7,11-12H,16H2,1-4H3,(H,18,19)
InChIKeyLYYWEUYSPQDPJL-UHFFFAOYSA-N
XLogP1.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(2-methylcyclopropyl)pyridine-4-carboxamide
CID 115646459
N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide
CID 64951103
N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64950869
3-fluoro-N-[(2R)-spiro[2.2]pentan-2-yl]pyridine-4-carboxamide
CID 129348790
2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760270
N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
3-hydroxy-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide
CID 81443107
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950701
(3-fluoro-4-pyridinyl)-(1-methylcyclopropyl)methanone
CID 104737938
3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950714
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide
CID 79698778
N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 113240920

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoropyridine-4-carboxamide (CID 79711836) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoropyridine-4-carboxamide is CC1(C)C(N)C(C)(C)C1NC(=O)c1ccncc1F.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is LYYWEUYSPQDPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-13(2)11(16)14(3,4)12(13)18-10(19)8-5-6-17-7-9(8)15/h5-7,11-12H,16H2,1-4H3,(H,18,19).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoropyridine-4-carboxamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 79711836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).