N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide

C11H16BrN3O — CID 65191624

IUPACN-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide
SMILESCC(C)C(CN)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C11H16BrN3O/c1-7(2)10(4-13)15-11(16)8-3-9(12)6-14-5-8/h3,5-7,10H,4,13H2,1-2H3,(H,15,16)
InChIKeyJWZPUWDAKOFPSE-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.56
Rot. Bonds4

About N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide

N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide (PubChem CID 65191624) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide
PubChem CID65191624
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide
SMILESCC(C)C(CN)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C11H16BrN3O/c1-7(2)10(4-13)15-11(16)8-3-9(12)6-14-5-8/h3,5-7,10H,4,13H2,1-2H3,(H,15,16)
InChIKeyJWZPUWDAKOFPSE-UHFFFAOYSA-N
XLogP1.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide
CID 121018993
N-(1-aminopentan-2-yl)-5-bromopyridine-3-carboxamide
CID 65191484
5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 60628143
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 28979295
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 115636073
5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 131048375
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301
diethyl 2-[(5-bromopyridine-3-carbonyl)amino]propanedioate
CID 33240132
5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 8750450
5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide
CID 113407759
(2R,3S)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 28979309
N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide
CID 106737450

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide (CID 65191624) is N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide is CC(C)C(CN)NC(=O)c1cncc(Br)c1.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide?
The InChIKey is JWZPUWDAKOFPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-7(2)10(4-13)15-11(16)8-3-9(12)6-14-5-8/h3,5-7,10H,4,13H2,1-2H3,(H,15,16).
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide?
N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 65191624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).