N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide

C13H18BrN3O — CID 79121873

IUPACN-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)cn1)C1CCC(N)CC1
InChIInChI=1S/C13H18BrN3O/c1-17(11-5-3-10(15)4-6-11)13(18)12-7-2-9(14)8-16-12/h2,7-8,10-11H,3-6,15H2,1H3
InChIKeyKXFQZRLICMGESG-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.19
Rot. Bonds2

About N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide

N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide (PubChem CID 79121873) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide
PubChem CID79121873
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC NameN-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)cn1)C1CCC(N)CC1
InChIInChI=1S/C13H18BrN3O/c1-17(11-5-3-10(15)4-6-11)13(18)12-7-2-9(14)8-16-12/h2,7-8,10-11H,3-6,15H2,1H3
InChIKeyKXFQZRLICMGESG-UHFFFAOYSA-N
XLogP2.19
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide (CID 79121873) is N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccc(Br)cn1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide?
The InChIKey is KXFQZRLICMGESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-17(11-5-3-10(15)4-6-11)13(18)12-7-2-9(14)8-16-12/h2,7-8,10-11H,3-6,15H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide?
N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 79121873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).