5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide

C14H20BrN3O — CID 62174416

IUPAC5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NC1(C)CCCCC1
InChIInChI=1S/C14H20BrN3O/c1-14(6-4-3-5-7-14)18-13(19)11-8-10(15)9-17-12(11)16-2/h8-9H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDPQPVBNVLFGEJB-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.34
Rot. Bonds3

About 5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide

5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide (PubChem CID 62174416) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide
PubChem CID62174416
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NC1(C)CCCCC1
InChIInChI=1S/C14H20BrN3O/c1-14(6-4-3-5-7-14)18-13(19)11-8-10(15)9-17-12(11)16-2/h8-9H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDPQPVBNVLFGEJB-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(methylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 62174498
2-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide
CID 55042048
5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 107729723
5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide
CID 83022924
5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide
CID 62172702
5-bromo-2-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 62178901
5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 55042655
5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 113466911
2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide
CID 80972166
4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 81226891
4-bromo-N-(1-methylcyclopentyl)-2-sulfanylbenzamide
CID 107023881
5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide
CID 116788035

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide (CID 62174416) is 5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)NC1(C)CCCCC1.
What is the InChIKey of 5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is DPQPVBNVLFGEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-14(6-4-3-5-7-14)18-13(19)11-8-10(15)9-17-12(11)16-2/h8-9H,3-7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide?
5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 3.34, 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-(1-methylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 62174416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).