2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide

C14H20BrN3O — CID 55042078

IUPAC2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cc(Br)cnc1N)C1CCCCCC1
InChIInChI=1S/C14H20BrN3O/c1-18(11-6-4-2-3-5-7-11)14(19)12-8-10(15)9-17-13(12)16/h8-9,11H,2-7H2,1H3,(H2,16,17)
InChIKeyBDYPVWSMYCVRIU-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.22
Rot. Bonds2

About 2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide

2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide (PubChem CID 55042078) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide
PubChem CID55042078
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cc(Br)cnc1N)C1CCCCCC1
InChIInChI=1S/C14H20BrN3O/c1-18(11-6-4-2-3-5-7-11)14(19)12-8-10(15)9-17-13(12)16/h8-9,11H,2-7H2,1H3,(H2,16,17)
InChIKeyBDYPVWSMYCVRIU-UHFFFAOYSA-N
XLogP3.22
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide
CID 62153959
2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide
CID 118238040
3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide
CID 107872003
(2-amino-5-bromo-3-pyridinyl)-cyclopentylmethanone
CID 59699866
2-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 62187031
2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023
(2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968760
2-amino-5-chloro-N-cyclohexyl-N-methylbenzamide
CID 16781756
5-amino-N-cyclohexyl-N,1-dimethylpyrazole-4-carboxamide
CID 110485278
2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide
CID 62187326
2-amino-N-cyclopentyl-N,5-dimethylbenzamide
CID 62509333
2-bromo-N-cycloheptyl-N-methylbenzamide
CID 43409214

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide (CID 55042078) is 2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide is CN(C(=O)c1cc(Br)cnc1N)C1CCCCCC1.
What is the InChIKey of 2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide?
The InChIKey is BDYPVWSMYCVRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-18(11-6-4-2-3-5-7-11)14(19)12-8-10(15)9-17-13(12)16/h8-9,11H,2-7H2,1H3,(H2,16,17).
What are the key properties of 2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide?
2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 55042078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).