2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide

C14H22BrN3O — CID 102907966

IUPAC2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
SMILESCC(C)C(CNC(=O)c1cc(Br)cnc1N)C(C)C
InChIInChI=1S/C14H22BrN3O/c1-8(2)12(9(3)4)7-18-14(19)11-5-10(15)6-17-13(11)16/h5-6,8-9,12H,7H2,1-4H3,(H2,16,17)(H,18,19)
InChIKeyJUCSOAAKZKLXHD-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.08
Rot. Bonds5

About 2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide

2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide (PubChem CID 102907966) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
PubChem CID102907966
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
SMILESCC(C)C(CNC(=O)c1cc(Br)cnc1N)C(C)C
InChIInChI=1S/C14H22BrN3O/c1-8(2)12(9(3)4)7-18-14(19)11-5-10(15)6-17-13(11)16/h5-6,8-9,12H,7H2,1-4H3,(H2,16,17)(H,18,19)
InChIKeyJUCSOAAKZKLXHD-UHFFFAOYSA-N
XLogP3.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)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

2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287868
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291
3-amino-5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107873229
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
CID 113458035
2-amino-5-bromo-N-pentan-2-ylpyridine-3-carboxamide
CID 62152326
2-amino-5-bromo-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide
CID 63837381
2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986651
2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 115357192
2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 64694166
2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 62159754
2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one
CID 84704280

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide (CID 102907966) is 2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide is CC(C)C(CNC(=O)c1cc(Br)cnc1N)C(C)C.
What is the InChIKey of 2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide?
The InChIKey is JUCSOAAKZKLXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-8(2)12(9(3)4)7-18-14(19)11-5-10(15)6-17-13(11)16/h5-6,8-9,12H,7H2,1-4H3,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide?
2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide has a molecular weight of 328.25 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 102907966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).