2-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methylbutanamide

C10H13BrFN3O — CID 106345901

IUPAC2-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1ncc(Br)cc1F)C(N)=O
InChIInChI=1S/C10H13BrFN3O/c1-5(2)8(9(13)16)15-10-7(12)3-6(11)4-14-10/h3-5,8H,1-2H3,(H2,13,16)(H,14,15)
InChIKeyOGCBDRVBHOMRLA-UHFFFAOYSA-N
MW290.14 g/mol
LogP1.90
Rot. Bonds4

About 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methylbutanamide

2-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methylbutanamide (PubChem CID 106345901) has the molecular formula C10H13BrFN3O and a molecular weight of 290.14 g/mol. Its IUPAC name is 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methylbutanamide
PubChem CID106345901
Molecular FormulaC10H13BrFN3O
Molecular Weight290.14 g/mol
Exact Mass289.02
IUPAC Name2-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1ncc(Br)cc1F)C(N)=O
InChIInChI=1S/C10H13BrFN3O/c1-5(2)8(9(13)16)15-10-7(12)3-6(11)4-14-10/h3-5,8H,1-2H3,(H2,13,16)(H,14,15)
InChIKeyOGCBDRVBHOMRLA-UHFFFAOYSA-N
XLogP1.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate
CID 79718493
(2S)-2-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 122049570
2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106347101
2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide
CID 103582387
2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide
CID 61229226
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347577
2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-3-methylbutanamide
CID 106346090
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-3-methylbutanamide
CID 106347643
2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide
CID 106345936
5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine
CID 104924591
4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide
CID 178170984
2-[(5-methoxypyrimidin-2-yl)amino]-3-methylbutanamide
CID 106345974

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methylbutanamide (CID 106345901) is 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methylbutanamide is CC(C)C(Nc1ncc(Br)cc1F)C(N)=O.
What is the InChIKey of 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methylbutanamide?
The InChIKey is OGCBDRVBHOMRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN3O/c1-5(2)8(9(13)16)15-10-7(12)3-6(11)4-14-10/h3-5,8H,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methylbutanamide?
2-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methylbutanamide has a molecular weight of 290.14 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methylbutanamide is sourced from PubChem (CID 106345901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).