5-bromo-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxypyridin-3-amine;ethane

C14H26BrN3O — CID 142572671

IUPAC5-bromo-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxypyridin-3-amine;ethane
SMILESCC.CC.COc1ncc(Br)c(/C=C/N(C)C)c1N
InChIInChI=1S/C10H14BrN3O.2C2H6/c1-14(2)5-4-7-8(11)6-13-10(15-3)9(7)12;2*1-2/h4-6H,12H2,1-3H3;2*1-2H3/b5-4+;;
InChIKeyFDHTXXZABNKHOI-SFKRKKMESA-N
MW332.29 g/mol
LogP4.02
Rot. Bonds3

About 5-bromo-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxypyridin-3-amine;ethane

5-bromo-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxypyridin-3-amine;ethane (PubChem CID 142572671) has the molecular formula C14H26BrN3O and a molecular weight of 332.29 g/mol. Its IUPAC name is 5-bromo-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxypyridin-3-amine;ethane.

Molecular Properties

Compound Name5-bromo-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxypyridin-3-amine;ethane
PubChem CID142572671
Molecular FormulaC14H26BrN3O
Molecular Weight332.29 g/mol
Exact Mass331.13
IUPAC Name5-bromo-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxypyridin-3-amine;ethane
SMILESCC.CC.COc1ncc(Br)c(/C=C/N(C)C)c1N
InChIInChI=1S/C10H14BrN3O.2C2H6/c1-14(2)5-4-7-8(11)6-13-10(15-3)9(7)12;2*1-2/h4-6H,12H2,1-3H3;2*1-2H3/b5-4+;;
InChIKeyFDHTXXZABNKHOI-SFKRKKMESA-N
XLogP4.02
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[amino(methyl)amino]-2-methoxypyridine-3,5-diamine
CID 170964871
7-bromo-4-methoxy-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 149181208
(E)-2-(5-bromo-6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethenamine
CID 166021888
5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999813
5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine
CID 130105934
4-bromo-1-methoxy-6-methylisoquinoline
CID 84707543
5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine
CID 170994844
N-[(4-aminophenyl)methyl]-5-bromo-4-methoxy-N-methylpyrimidin-2-amine
CID 106998375
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propane-1-sulfonamide
CID 106997682
4-bromo-1,5-dimethoxyisoquinoline
CID 84712002
4-bromo-7-methoxy-2-methylfuro[2,3-c]pyridine
CID 118021480
4-bromo-1-methoxyisoquinolin-5-ol
CID 84708016

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxypyridin-3-amine;ethane?
The IUPAC name of 5-bromo-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxypyridin-3-amine;ethane (CID 142572671) is 5-bromo-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxypyridin-3-amine;ethane.
What is the SMILES notation for 5-bromo-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxypyridin-3-amine;ethane?
The canonical SMILES for 5-bromo-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxypyridin-3-amine;ethane is CC.CC.COc1ncc(Br)c(/C=C/N(C)C)c1N.
What is the InChIKey of 5-bromo-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxypyridin-3-amine;ethane?
The InChIKey is FDHTXXZABNKHOI-SFKRKKMESA-N. The full InChI is InChI=1S/C10H14BrN3O.2C2H6/c1-14(2)5-4-7-8(11)6-13-10(15-3)9(7)12;2*1-2/h4-6H,12H2,1-3H3;2*1-2H3/b5-4+;;.
What are the key properties of 5-bromo-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxypyridin-3-amine;ethane?
5-bromo-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxypyridin-3-amine;ethane has a molecular weight of 332.29 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxypyridin-3-amine;ethane is sourced from PubChem (CID 142572671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).