2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide

C11H16BrN3O — CID 77071895

IUPAC2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ncccc1Br
InChIInChI=1S/C11H16BrN3O/c1-3-7(2)9(13)11(16)15-10-8(12)5-4-6-14-10/h4-7,9H,3,13H2,1-2H3,(H,14,15,16)
InChIKeyIDDCZOQDCXNNQS-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.16
Rot. Bonds4

About 2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide

2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide (PubChem CID 77071895) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide
PubChem CID77071895
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ncccc1Br
InChIInChI=1S/C11H16BrN3O/c1-3-7(2)9(13)11(16)15-10-8(12)5-4-6-14-10/h4-7,9H,3,13H2,1-2H3,(H,14,15,16)
InChIKeyIDDCZOQDCXNNQS-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(3-bromo-2-pyridinyl)propanamide
CID 107905388
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651
5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide
CID 104685237
(2S)-2-amino-N-(3-bromo-2-methylphenyl)-3-methylpentanamide
CID 103832917
(2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide
CID 61173712
2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)pentanamide
CID 61379490
2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 43700405
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
CID 60928670
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 61180684

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide (CID 77071895) is 2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1ncccc1Br.
What is the InChIKey of 2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide?
The InChIKey is IDDCZOQDCXNNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-3-7(2)9(13)11(16)15-10-8(12)5-4-6-14-10/h4-7,9H,3,13H2,1-2H3,(H,14,15,16).
What are the key properties of 2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide?
2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide has a molecular weight of 286.17 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide is sourced from PubChem (CID 77071895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).