2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide

C10H14BrN3O — CID 106345936

IUPAC2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1ccncc1Br)C(N)=O
InChIInChI=1S/C10H14BrN3O/c1-6(2)9(10(12)15)14-8-3-4-13-5-7(8)11/h3-6,9H,1-2H3,(H2,12,15)(H,13,14)
InChIKeyJWQKCTIIMAKYPQ-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.77
Rot. Bonds4

About 2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide

2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide (PubChem CID 106345936) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide
PubChem CID106345936
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1ccncc1Br)C(N)=O
InChIInChI=1S/C10H14BrN3O/c1-6(2)9(10(12)15)14-8-3-4-13-5-7(8)11/h3-6,9H,1-2H3,(H2,12,15)(H,13,14)
InChIKeyJWQKCTIIMAKYPQ-UHFFFAOYSA-N
XLogP1.77
TPSA68.01 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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106345806
2-(2-bromo-4-cyanoanilino)-3-methylbutanamide
CID 106345596
3-[(3-bromo-4-pyridinyl)amino]butan-1-ol
CID 104777212
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide
CID 131186254
2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-3-methylbutanamide
CID 106346090
2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 104777234
3-methyl-2-(2-methylanilino)butanamide
CID 60679565
3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine
CID 104779520
3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine
CID 104776944
N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide
CID 77389901
2-bromo-N-(3-bromo-4-pyridinyl)-2-methylpropanamide
CID 114328998
2-[(6-bromo-2-pyridinyl)amino]-3-methylbutanamide
CID 106346848

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide (CID 106345936) is 2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide is CC(C)C(Nc1ccncc1Br)C(N)=O.
What is the InChIKey of 2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide?
The InChIKey is JWQKCTIIMAKYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-6(2)9(10(12)15)14-8-3-4-13-5-7(8)11/h3-6,9H,1-2H3,(H2,12,15)(H,13,14).
What are the key properties of 2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide?
2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide has a molecular weight of 272.15 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide is sourced from PubChem (CID 106345936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).