2-bromo-N,3-dimethyl-N-pyridin-4-ylbutanamide

C11H15BrN2O — CID 106934733

IUPAC2-bromo-N,3-dimethyl-N-pyridin-4-ylbutanamide
SMILESCC(C)C(Br)C(=O)N(C)c1ccncc1
InChIInChI=1S/C11H15BrN2O/c1-8(2)10(12)11(15)14(3)9-4-6-13-7-5-9/h4-8,10H,1-3H3
InChIKeyNJTZFDZCVVWBQT-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.46
Rot. Bonds3

About 2-bromo-N,3-dimethyl-N-pyridin-4-ylbutanamide

2-bromo-N,3-dimethyl-N-pyridin-4-ylbutanamide (PubChem CID 106934733) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-bromo-N,3-dimethyl-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name2-bromo-N,3-dimethyl-N-pyridin-4-ylbutanamide
PubChem CID106934733
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-bromo-N,3-dimethyl-N-pyridin-4-ylbutanamide
SMILESCC(C)C(Br)C(=O)N(C)c1ccncc1
InChIInChI=1S/C11H15BrN2O/c1-8(2)10(12)11(15)14(3)9-4-6-13-7-5-9/h4-8,10H,1-3H3
InChIKeyNJTZFDZCVVWBQT-UHFFFAOYSA-N
XLogP2.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl(pyridin-4-yl)carbamic acid
CID 54205463
(2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide
CID 106935125
(2S)-2-amino-N-methyl-N-pyridin-4-ylpentanamide
CID 107570953
N-methyl-N-pyridin-4-ylpropanamide
CID 59710602
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2626159
(2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-pyridin-4-ylpropanamide
CID 106935047
3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide
CID 90892089
N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 176647563
N-methyl-N-pyridin-4-ylcarbamodithioate
CID 58035970
4-hydroxy-N-methyl-N-pyridin-4-ylbutanamide
CID 106937601
carbonochloridic acid;N,N-dimethylpyridin-4-amine
CID 172753454
(2S)-2-bromo-1-pyridin-4-ylpropan-1-one
CID 86316487

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,3-dimethyl-N-pyridin-4-ylbutanamide?
The IUPAC name of 2-bromo-N,3-dimethyl-N-pyridin-4-ylbutanamide (CID 106934733) is 2-bromo-N,3-dimethyl-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 2-bromo-N,3-dimethyl-N-pyridin-4-ylbutanamide?
The canonical SMILES for 2-bromo-N,3-dimethyl-N-pyridin-4-ylbutanamide is CC(C)C(Br)C(=O)N(C)c1ccncc1.
What is the InChIKey of 2-bromo-N,3-dimethyl-N-pyridin-4-ylbutanamide?
The InChIKey is NJTZFDZCVVWBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8(2)10(12)11(15)14(3)9-4-6-13-7-5-9/h4-8,10H,1-3H3.
What are the key properties of 2-bromo-N,3-dimethyl-N-pyridin-4-ylbutanamide?
2-bromo-N,3-dimethyl-N-pyridin-4-ylbutanamide has a molecular weight of 271.16 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,3-dimethyl-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 106934733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).