5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide

C14H20BrN3O — CID 55042655

IUPAC5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NC1CCCCC1C
InChIInChI=1S/C14H20BrN3O/c1-9-5-3-4-6-12(9)18-14(19)11-7-10(15)8-17-13(11)16-2/h7-9,12H,3-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyVMUHMAMBCCNIGC-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.19
Rot. Bonds3

About 5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide

5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide (PubChem CID 55042655) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide
PubChem CID55042655
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NC1CCCCC1C
InChIInChI=1S/C14H20BrN3O/c1-9-5-3-4-6-12(9)18-14(19)11-7-10(15)8-17-13(11)16-2/h7-9,12H,3-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyVMUHMAMBCCNIGC-UHFFFAOYSA-N
XLogP3.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-hydrazinyl-N-(2-methylcyclopentyl)pyridine-3-carboxamide
CID 63279137
1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide
CID 106771845
4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide
CID 63524339
2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62359305
5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide
CID 94415434
5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide
CID 63501657
5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide
CID 62172702
5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide
CID 83022924
4-bromo-N-(2-methylcycloheptyl)-2-sulfanylbenzamide
CID 107031479
5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide
CID 62174416
3-(methylamino)-N-(2-methylcycloheptyl)pyridine-4-carboxamide
CID 105070514
5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
CID 62414263

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide (CID 55042655) is 5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)NC1CCCCC1C.
What is the InChIKey of 5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is VMUHMAMBCCNIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-9-5-3-4-6-12(9)18-14(19)11-7-10(15)8-17-13(11)16-2/h7-9,12H,3-6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide?
5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 55042655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).