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

C14H20BrN3O — CID 79711416

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-bromopyridine-3-carboxamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C14H20BrN3O/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)
InChIKeyYUUKHAXGUTXELM-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.34
Rot. Bonds2

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

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-bromopyridine-3-carboxamide (PubChem CID 79711416) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-bromopyridine-3-carboxamide
PubChem CID79711416
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-bromopyridine-3-carboxamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C14H20BrN3O/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)
InChIKeyYUUKHAXGUTXELM-UHFFFAOYSA-N
XLogP2.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.34
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-bromopyridine-3-carboxamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-bromopyridine-3-carboxamide (CID 79711416) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-bromopyridine-3-carboxamide is CC1(C)C(N)C(C)(C)C1NC(=O)c1cncc(Br)c1.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-bromopyridine-3-carboxamide?
The InChIKey is YUUKHAXGUTXELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/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-bromopyridine-3-carboxamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-bromopyridine-3-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 2.34, 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-bromopyridine-3-carboxamide is sourced from PubChem (CID 79711416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).