(3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide

C16H17BrN2O — CID 124593925

IUPAC(3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide
SMILESC[C@@H](CC(=O)N(C)c1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-12(13-6-8-14(17)9-7-13)11-16(20)19(2)15-5-3-4-10-18-15/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyRSRFNKFQBZGQNT-LBPRGKRZSA-N
MW333.23 g/mol
LogP4.00
Rot. Bonds4

About (3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide

(3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide (PubChem CID 124593925) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is (3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name(3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide
PubChem CID124593925
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name(3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide
SMILESC[C@@H](CC(=O)N(C)c1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-12(13-6-8-14(17)9-7-13)11-16(20)19(2)15-5-3-4-10-18-15/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyRSRFNKFQBZGQNT-LBPRGKRZSA-N
XLogP4.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-methyl-2-phenyl-N-pyridin-2-ylacetamide
CID 61148028
N-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide
CID 60852882
N-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide
CID 115274152
(2S)-N,2,4-trimethyl-N-pyridin-2-ylpent-4-enamide
CID 124618003
(3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide
CID 100920350
2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-dicarboxamide
CID 101347293
ethyl (3S)-3-(4-bromophenyl)butanoate
CID 90210718
2,2-difluoro-N-methyl-N-pyridin-2-ylacetamide
CID 103515256
4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide
CID 3748947
1-methyl-3-propyl-1-pyridin-2-ylurea
CID 116653987
2-methoxy-N-methyl-N-pyridin-2-ylpropanamide
CID 115640276
N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 116653994

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide?
The IUPAC name of (3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide (CID 124593925) is (3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide.
What is the SMILES notation for (3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide?
The canonical SMILES for (3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide is C[C@@H](CC(=O)N(C)c1ccccn1)c1ccc(Br)cc1.
What is the InChIKey of (3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide?
The InChIKey is RSRFNKFQBZGQNT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-12(13-6-8-14(17)9-7-13)11-16(20)19(2)15-5-3-4-10-18-15/h3-10,12H,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide?
(3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide has a molecular weight of 333.23 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 124593925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).