3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide

C16H18BrN3O2 — CID 120503580

IUPAC3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C16H18BrN3O2/c1-10(11(2)18)16(21)20-13-6-7-15(19-9-13)22-14-5-3-4-12(17)8-14/h3-11H,18H2,1-2H3,(H,20,21)
InChIKeyUZIBWGAURRNFST-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.56
Rot. Bonds5

About 3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide

3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide (PubChem CID 120503580) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide
PubChem CID120503580
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C16H18BrN3O2/c1-10(11(2)18)16(21)20-13-6-7-15(19-9-13)22-14-5-3-4-12(17)8-14/h3-11H,18H2,1-2H3,(H,20,21)
InChIKeyUZIBWGAURRNFST-UHFFFAOYSA-N
XLogP3.56
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide
CID 120502960
3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide
CID 120503762
3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide
CID 120503351
(2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 7004327
(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride
CID 119849043
(2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
CID 119849184
1-[6-(3-bromophenoxy)-3-pyridinyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 56556792
2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride
CID 119849169
1-[6-(3-bromophenoxy)-3-pyridinyl]-3-(pyridin-3-ylmethyl)urea
CID 52836877
N-[6-(3-bromophenoxy)-3-pyridinyl]-2-propylsulfonylbenzamide
CID 60613046
6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 78887929
(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 6930724

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide (CID 120503580) is 3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide is CC(N)C(C)C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1.
What is the InChIKey of 3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide?
The InChIKey is UZIBWGAURRNFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-10(11(2)18)16(21)20-13-6-7-15(19-9-13)22-14-5-3-4-12(17)8-14/h3-11H,18H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide?
3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide has a molecular weight of 364.24 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide is sourced from PubChem (CID 120503580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).