2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide

C12H16BrN3O2 — CID 62359305

IUPAC2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)NC1CCCCC1O
InChIInChI=1S/C12H16BrN3O2/c13-7-5-8(11(14)15-6-7)12(18)16-9-3-1-2-4-10(9)17/h5-6,9-10,17H,1-4H2,(H2,14,15)(H,16,18)
InChIKeyNGKNYZOYHQVSDG-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.46
Rot. Bonds2

About 2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide

2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide (PubChem CID 62359305) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
PubChem CID62359305
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)NC1CCCCC1O
InChIInChI=1S/C12H16BrN3O2/c13-7-5-8(11(14)15-6-7)12(18)16-9-3-1-2-4-10(9)17/h5-6,9-10,17H,1-4H2,(H2,14,15)(H,16,18)
InChIKeyNGKNYZOYHQVSDG-UHFFFAOYSA-N
XLogP1.46
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023
5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide
CID 94415434
2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide
CID 114505946
2-amino-4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107221910
(2-amino-5-bromo-3-pyridinyl)-cyclopentylmethanone
CID 59699866
2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide
CID 114540575
5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927973
5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide
CID 114089621
5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 62365234
5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 55042655
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide (CID 62359305) is 2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide is Nc1ncc(Br)cc1C(=O)NC1CCCCC1O.
What is the InChIKey of 2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide?
The InChIKey is NGKNYZOYHQVSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c13-7-5-8(11(14)15-6-7)12(18)16-9-3-1-2-4-10(9)17/h5-6,9-10,17H,1-4H2,(H2,14,15)(H,16,18).
What are the key properties of 2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide?
2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 62359305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).