2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide

C14H16BrN3OS — CID 166216279

IUPAC2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccs1)Cc1ccc(Br)nc1
InChIInChI=1S/C14H16BrN3OS/c1-18(9-11-4-5-13(15)16-7-11)10-14(19)17-8-12-3-2-6-20-12/h2-7H,8-10H2,1H3,(H,17,19)
InChIKeyRAIWINBWNZJYJY-UHFFFAOYSA-N
MW354.27 g/mol
LogP2.65
Rot. Bonds6

About 2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 166216279) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is 2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID166216279
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC Name2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccs1)Cc1ccc(Br)nc1
InChIInChI=1S/C14H16BrN3OS/c1-18(9-11-4-5-13(15)16-7-11)10-14(19)17-8-12-3-2-6-20-12/h2-7H,8-10H2,1H3,(H,17,19)
InChIKeyRAIWINBWNZJYJY-UHFFFAOYSA-N
XLogP2.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 120900523
N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512957
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 78957766
2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 135115780
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 8540690
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40760677
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 37422554
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide
CID 47026748
3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 91841122
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 27075867
2-[methyl(1-thiophen-2-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51271574
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 1246126

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 166216279) is 2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide is CN(CC(=O)NCc1cccs1)Cc1ccc(Br)nc1.
What is the InChIKey of 2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is RAIWINBWNZJYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c1-18(9-11-4-5-13(15)16-7-11)10-14(19)17-8-12-3-2-6-20-12/h2-7H,8-10H2,1H3,(H,17,19).
What are the key properties of 2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 354.27 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 166216279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).