2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide

C12H16BrN3O2 — CID 114194050

IUPAC2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NC2CCC(O)CC2)c(Br)cn1
InChIInChI=1S/C12H16BrN3O2/c13-10-6-15-11(14)5-9(10)12(18)16-7-1-3-8(17)4-2-7/h5-8,17H,1-4H2,(H2,14,15)(H,16,18)
InChIKeyZTSPJLUBJGCWDB-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.46
Rot. Bonds2

About 2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide

2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide (PubChem CID 114194050) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
PubChem CID114194050
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NC2CCC(O)CC2)c(Br)cn1
InChIInChI=1S/C12H16BrN3O2/c13-10-6-15-11(14)5-9(10)12(18)16-7-1-3-8(17)4-2-7/h5-8,17H,1-4H2,(H2,14,15)(H,16,18)
InChIKeyZTSPJLUBJGCWDB-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-(4-hydroxycyclohexyl)benzamide
CID 75465077
2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 114194096
5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide
CID 102704817
2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide
CID 114193960
2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023
6-amino-5-chloro-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62155376
4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide
CID 24694578
5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
CID 115277460
2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide
CID 170699654
4-amino-6-chloro-N-cyclopropylpyridine-3-carboxamide
CID 156880832
2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 114193980
5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 62815067

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide (CID 114194050) is 2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide is Nc1cc(C(=O)NC2CCC(O)CC2)c(Br)cn1.
What is the InChIKey of 2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide?
The InChIKey is ZTSPJLUBJGCWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c13-10-6-15-11(14)5-9(10)12(18)16-7-1-3-8(17)4-2-7/h5-8,17H,1-4H2,(H2,14,15)(H,16,18).
What are the key properties of 2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide?
2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-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-(4-hydroxycyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 114194050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).