N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-carboxamide

C14H20FN3O — CID 104786251

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-carboxamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1cncc(F)c1
InChIInChI=1S/C14H20FN3O/c1-13(2)11(16)14(3,4)12(13)18-10(19)8-5-9(15)7-17-6-8/h5-7,11-12H,16H2,1-4H3,(H,18,19)
InChIKeyJUJZPYGNAIVBDU-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.71
Rot. Bonds2

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-carboxamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-carboxamide (PubChem CID 104786251) 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)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-carboxamide
PubChem CID104786251
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-carboxamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1cncc(F)c1
InChIInChI=1S/C14H20FN3O/c1-13(2)11(16)14(3,4)12(13)18-10(19)8-5-9(15)7-17-6-8/h5-7,11-12H,16H2,1-4H3,(H,18,19)
InChIKeyJUJZPYGNAIVBDU-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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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-carboxamide (CID 104786251) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-carboxamide is CC1(C)C(N)C(C)(C)C1NC(=O)c1cncc(F)c1.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-carboxamide?
The InChIKey is JUJZPYGNAIVBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-13(2)11(16)14(3,4)12(13)18-10(19)8-5-9(15)7-17-6-8/h5-7,11-12H,16H2,1-4H3,(H,18,19).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-carboxamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-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)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 104786251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).