4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide

C15H24BrN3O — CID 79734817

IUPAC4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide
SMILESCc1cc(NC(=O)CCC(CCN)C(C)C)ncc1Br
InChIInChI=1S/C15H24BrN3O/c1-10(2)12(6-7-17)4-5-15(20)19-14-8-11(3)13(16)9-18-14/h8-10,12H,4-7,17H2,1-3H3,(H,18,19,20)
InChIKeyOKWYTNRMZHDPAN-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.49
Rot. Bonds7

About 4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide

4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide (PubChem CID 79734817) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide
PubChem CID79734817
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide
SMILESCc1cc(NC(=O)CCC(CCN)C(C)C)ncc1Br
InChIInChI=1S/C15H24BrN3O/c1-10(2)12(6-7-17)4-5-15(20)19-14-8-11(3)13(16)9-18-14/h8-10,12H,4-7,17H2,1-3H3,(H,18,19,20)
InChIKeyOKWYTNRMZHDPAN-UHFFFAOYSA-N
XLogP3.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide 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

N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 79734413
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
CID 104685319
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanamide
CID 79734420
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79730214
3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine
CID 106357544
(2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide
CID 79734122
N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
CID 79734521
4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide
CID 106954386
1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869545
4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide
CID 104727149
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide
CID 79733322

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide (CID 79734817) is 4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide is Cc1cc(NC(=O)CCC(CCN)C(C)C)ncc1Br.
What is the InChIKey of 4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide?
The InChIKey is OKWYTNRMZHDPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-10(2)12(6-7-17)4-5-15(20)19-14-8-11(3)13(16)9-18-14/h8-10,12H,4-7,17H2,1-3H3,(H,18,19,20).
What are the key properties of 4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide?
4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide has a molecular weight of 342.28 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide is sourced from PubChem (CID 79734817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).