5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide

C15H21BrN2O — CID 1122328

IUPAC5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
SMILESC[C@@H]1C[C@@H](NC(=O)c2cncc(Br)c2)CC(C)(C)C1
InChIInChI=1S/C15H21BrN2O/c1-10-4-13(7-15(2,3)6-10)18-14(19)11-5-12(16)9-17-8-11/h5,8-10,13H,4,6-7H2,1-3H3,(H,18,19)/t10-,13-/m1/s1
InChIKeyOAIGEWRXTPQJMC-ZWNOBZJWSA-N
MW325.25 g/mol
LogP3.79
Rot. Bonds2

About 5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide

5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide (PubChem CID 1122328) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
PubChem CID1122328
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
SMILESC[C@@H]1C[C@@H](NC(=O)c2cncc(Br)c2)CC(C)(C)C1
InChIInChI=1S/C15H21BrN2O/c1-10-4-13(7-15(2,3)6-10)18-14(19)11-5-12(16)9-17-8-11/h5,8-10,13H,4,6-7H2,1-3H3,(H,18,19)/t10-,13-/m1/s1
InChIKeyOAIGEWRXTPQJMC-ZWNOBZJWSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673806
N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 39358749
5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103708503
3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide
CID 673811
5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
CID 2823446
5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide
CID 130552943
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-bromopyridine-3-carboxamide
CID 79711416
5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide
CID 4121013
2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 831549
5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95984966
2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide
CID 2806551
5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
CID 63526340

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide (CID 1122328) is 5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide is C[C@@H]1C[C@@H](NC(=O)c2cncc(Br)c2)CC(C)(C)C1.
What is the InChIKey of 5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide?
The InChIKey is OAIGEWRXTPQJMC-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-4-13(7-15(2,3)6-10)18-14(19)11-5-12(16)9-17-8-11/h5,8-10,13H,4,6-7H2,1-3H3,(H,18,19)/t10-,13-/m1/s1.
What are the key properties of 5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide?
5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 1122328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).