2-[(3-bromo-2-pyridinyl)amino]-N-methylbutanamide

C10H14BrN3O — CID 164664153

IUPAC2-[(3-bromo-2-pyridinyl)amino]-N-methylbutanamide
SMILESCCC(Nc1ncccc1Br)C(=O)NC
InChIInChI=1S/C10H14BrN3O/c1-3-8(10(15)12-2)14-9-7(11)5-4-6-13-9/h4-6,8H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyQXEDKXSMHWPKLN-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.78
Rot. Bonds4

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

2-[(3-bromo-2-pyridinyl)amino]-N-methylbutanamide (PubChem CID 164664153) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 2-[(3-bromo-2-pyridinyl)amino]-N-methylbutanamide.

Molecular Properties

Compound Name2-[(3-bromo-2-pyridinyl)amino]-N-methylbutanamide
PubChem CID164664153
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name2-[(3-bromo-2-pyridinyl)amino]-N-methylbutanamide
SMILESCCC(Nc1ncccc1Br)C(=O)NC
InChIInChI=1S/C10H14BrN3O/c1-3-8(10(15)12-2)14-9-7(11)5-4-6-13-9/h4-6,8H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyQXEDKXSMHWPKLN-UHFFFAOYSA-N
XLogP1.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-2-pyridinyl)amino]hexanoic acid
CID 122060294
3-bromo-N-butan-2-ylpyridin-2-amine
CID 61374838
2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide
CID 77071895
2-[(5-bromoisoquinolin-1-yl)amino]butanoic acid
CID 106535952
2-bromo-N-(3-bromo-2-pyridinyl)propanamide
CID 107905388
(3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol
CID 131182775
5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide
CID 104685237
3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106350440
3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea
CID 79160439
3-bromo-N-(2-ethylphenyl)pyridin-2-amine
CID 55219347
N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71980567
2-(2-methylbutanoylamino)pyridine-3-carboxylic acid
CID 63654439

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-pyridinyl)amino]-N-methylbutanamide?
The IUPAC name of 2-[(3-bromo-2-pyridinyl)amino]-N-methylbutanamide (CID 164664153) is 2-[(3-bromo-2-pyridinyl)amino]-N-methylbutanamide.
What is the SMILES notation for 2-[(3-bromo-2-pyridinyl)amino]-N-methylbutanamide?
The canonical SMILES for 2-[(3-bromo-2-pyridinyl)amino]-N-methylbutanamide is CCC(Nc1ncccc1Br)C(=O)NC.
What is the InChIKey of 2-[(3-bromo-2-pyridinyl)amino]-N-methylbutanamide?
The InChIKey is QXEDKXSMHWPKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-3-8(10(15)12-2)14-9-7(11)5-4-6-13-9/h4-6,8H,3H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(3-bromo-2-pyridinyl)amino]-N-methylbutanamide?
2-[(3-bromo-2-pyridinyl)amino]-N-methylbutanamide has a molecular weight of 272.15 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-pyridinyl)amino]-N-methylbutanamide is sourced from PubChem (CID 164664153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).