2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide

C14H23BrN4O — CID 62160177

IUPAC2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CN(CCN(C)C)C(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H23BrN4O/c1-10(2)9-19(6-5-18(3)4)14(20)12-7-11(15)8-17-13(12)16/h7-8,10H,5-6,9H2,1-4H3,(H2,16,17)
InChIKeyJPFFGFVYWYGOTI-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.09
Rot. Bonds6

About 2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide

2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 62160177) has the molecular formula C14H23BrN4O and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID62160177
Molecular FormulaC14H23BrN4O
Molecular Weight343.27 g/mol
Exact Mass342.11
IUPAC Name2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CN(CCN(C)C)C(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H23BrN4O/c1-10(2)9-19(6-5-18(3)4)14(20)12-7-11(15)8-17-13(12)16/h7-8,10H,5-6,9H2,1-4H3,(H2,16,17)
InChIKeyJPFFGFVYWYGOTI-UHFFFAOYSA-N
XLogP2.09
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-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

5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62179231
2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
CID 55041522
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917935
2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 61289863
2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 62159754
5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62168618
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61116865
2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide
CID 62187326
2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61115159
2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287868
CID 89088027
CID 89088027

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide (CID 62160177) is 2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide is CC(C)CN(CCN(C)C)C(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is JPFFGFVYWYGOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4O/c1-10(2)9-19(6-5-18(3)4)14(20)12-7-11(15)8-17-13(12)16/h7-8,10H,5-6,9H2,1-4H3,(H2,16,17).
What are the key properties of 2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide?
2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 343.27 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 62160177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).