(2R,3S)-2-(5-bromo-2-pyridinyl)-N,N-dimethyl-3-phenylpent-4-enamide

C18H19BrN2O — CID 154714561

IUPAC(2R,3S)-2-(5-bromo-2-pyridinyl)-N,N-dimethyl-3-phenylpent-4-enamide
SMILESC=C[C@H](c1ccccc1)[C@@H](C(=O)N(C)C)c1ccc(Br)cn1
InChIInChI=1S/C18H19BrN2O/c1-4-15(13-8-6-5-7-9-13)17(18(22)21(2)3)16-11-10-14(19)12-20-16/h4-12,15,17H,1H2,2-3H3/t15-,17-/m1/s1
InChIKeyKNVKTRVKCZKVMK-NVXWUHKLSA-N
MW359.27 g/mol
LogP3.99
Rot. Bonds5

About (2R,3S)-2-(5-bromo-2-pyridinyl)-N,N-dimethyl-3-phenylpent-4-enamide

(2R,3S)-2-(5-bromo-2-pyridinyl)-N,N-dimethyl-3-phenylpent-4-enamide (PubChem CID 154714561) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is (2R,3S)-2-(5-bromo-2-pyridinyl)-N,N-dimethyl-3-phenylpent-4-enamide.

Molecular Properties

Compound Name(2R,3S)-2-(5-bromo-2-pyridinyl)-N,N-dimethyl-3-phenylpent-4-enamide
PubChem CID154714561
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name(2R,3S)-2-(5-bromo-2-pyridinyl)-N,N-dimethyl-3-phenylpent-4-enamide
SMILESC=C[C@H](c1ccccc1)[C@@H](C(=O)N(C)C)c1ccc(Br)cn1
InChIInChI=1S/C18H19BrN2O/c1-4-15(13-8-6-5-7-9-13)17(18(22)21(2)3)16-11-10-14(19)12-20-16/h4-12,15,17H,1H2,2-3H3/t15-,17-/m1/s1
InChIKeyKNVKTRVKCZKVMK-NVXWUHKLSA-N
XLogP3.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3S)-2-(5-bromo-2-pyridinyl)-N,N-dimethyl-3-phenylpent-4-enamide 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

Brompheniramine
CID 6834
Disopyramide
CID 3114
Dexbrompheniramine
CID 16960
Mono-N-dealkyldisopyramide
CID 107858
Vamicamide
CID 65967
Disopyramide, (R)-
CID 156294
2-(4-Bromophenyl)-5-pentylpyridine
CID 3092175
Disopyramide, (S)-
CID 156295
2-Pyridineacetamide, alpha-(2-(dimethylamino)propyl)-alpha-phenyl-
CID 3025060
N-(cyanomethyl)-4-methyl-2-[3-(pyridin-2-yl)phenyl]pentanamide
CID 10924832
[4-[4-[(Z)-C-(4-bromophenyl)-N-methoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,4-dimethyl-3-pyridyl)methanone
CID 9574357
N-ethyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 6466387

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(5-bromo-2-pyridinyl)-N,N-dimethyl-3-phenylpent-4-enamide?
The IUPAC name of (2R,3S)-2-(5-bromo-2-pyridinyl)-N,N-dimethyl-3-phenylpent-4-enamide (CID 154714561) is (2R,3S)-2-(5-bromo-2-pyridinyl)-N,N-dimethyl-3-phenylpent-4-enamide.
What is the SMILES notation for (2R,3S)-2-(5-bromo-2-pyridinyl)-N,N-dimethyl-3-phenylpent-4-enamide?
The canonical SMILES for (2R,3S)-2-(5-bromo-2-pyridinyl)-N,N-dimethyl-3-phenylpent-4-enamide is C=C[C@H](c1ccccc1)[C@@H](C(=O)N(C)C)c1ccc(Br)cn1.
What is the InChIKey of (2R,3S)-2-(5-bromo-2-pyridinyl)-N,N-dimethyl-3-phenylpent-4-enamide?
The InChIKey is KNVKTRVKCZKVMK-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-4-15(13-8-6-5-7-9-13)17(18(22)21(2)3)16-11-10-14(19)12-20-16/h4-12,15,17H,1H2,2-3H3/t15-,17-/m1/s1.
What are the key properties of (2R,3S)-2-(5-bromo-2-pyridinyl)-N,N-dimethyl-3-phenylpent-4-enamide?
(2R,3S)-2-(5-bromo-2-pyridinyl)-N,N-dimethyl-3-phenylpent-4-enamide has a molecular weight of 359.27 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(5-bromo-2-pyridinyl)-N,N-dimethyl-3-phenylpent-4-enamide is sourced from PubChem (CID 154714561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).