5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide

C14H19BrN2O — CID 79351145

IUPAC5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide
SMILESCC1(C)C(CNC(=O)c2ccc(Br)cn2)C1(C)C
InChIInChI=1S/C14H19BrN2O/c1-13(2)11(14(13,3)4)8-17-12(18)10-6-5-9(15)7-16-10/h5-7,11H,8H2,1-4H3,(H,17,18)
InChIKeyWOLGUVYVZXVJFO-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.26
Rot. Bonds3

About 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide

5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide (PubChem CID 79351145) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide
PubChem CID79351145
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide
SMILESCC1(C)C(CNC(=O)c2ccc(Br)cn2)C1(C)C
InChIInChI=1S/C14H19BrN2O/c1-13(2)11(14(13,3)4)8-17-12(18)10-6-5-9(15)7-16-10/h5-7,11H,8H2,1-4H3,(H,17,18)
InChIKeyWOLGUVYVZXVJFO-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide
CID 79357896
5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-2-carboxamide
CID 114148125
5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107418817
5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride
CID 119431575
5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide
CID 78957062
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64596698
5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 55153821
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045
5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499
5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 55210079

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide (CID 79351145) is 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide is CC1(C)C(CNC(=O)c2ccc(Br)cn2)C1(C)C.
What is the InChIKey of 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide?
The InChIKey is WOLGUVYVZXVJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-13(2)11(14(13,3)4)8-17-12(18)10-6-5-9(15)7-16-10/h5-7,11H,8H2,1-4H3,(H,17,18).
What are the key properties of 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide?
5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 79351145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).