2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide

C12H18BrN3O — CID 104778623

IUPAC2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)c1ccncc1Br
InChIInChI=1S/C12H18BrN3O/c1-9(2)6-15-12(17)8-16(3)11-4-5-14-7-10(11)13/h4-5,7,9H,6,8H2,1-3H3,(H,15,17)
InChIKeyKFRDHUFHPVADSV-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.05
Rot. Bonds5

About 2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide

2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 104778623) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide
PubChem CID104778623
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)c1ccncc1Br
InChIInChI=1S/C12H18BrN3O/c1-9(2)6-15-12(17)8-16(3)11-4-5-14-7-10(11)13/h4-5,7,9H,6,8H2,1-3H3,(H,15,17)
InChIKeyKFRDHUFHPVADSV-UHFFFAOYSA-N
XLogP2.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 105062817
2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide
CID 114890848
2-[(3-chloro-4-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 71977838
2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide
CID 113408910
2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide
CID 56549439
2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide
CID 61357286
N-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide
CID 124751056
N-(2-methylpropyl)-2-pyridin-4-ylacetamide
CID 78975326
5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 114407703
2-[[4-(aminomethyl)pyridazin-3-yl]-methylamino]-N-(2-methylpropyl)acetamide
CID 113408923
2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 104778072
6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 114037773

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide (CID 104778623) is 2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(C)c1ccncc1Br.
What is the InChIKey of 2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is KFRDHUFHPVADSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-9(2)6-15-12(17)8-16(3)11-4-5-14-7-10(11)13/h4-5,7,9H,6,8H2,1-3H3,(H,15,17).
What are the key properties of 2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide?
2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 300.20 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 104778623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).