N-[4-[4,5-bis[(E)-2-methoxyethenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-5-bromo-2,3-dimethoxybenzamide

C24H33BrN2O5 — CID 71092010

IUPACN-[4-[4,5-bis[(E)-2-methoxyethenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-5-bromo-2,3-dimethoxybenzamide
SMILESCO/C=C/C1=C(/C=C/OC)CN(CCCCNC(=O)c2cc(Br)cc(OC)c2OC)CC1
InChIInChI=1S/C24H33BrN2O5/c1-29-13-8-18-7-12-27(17-19(18)9-14-30-2)11-6-5-10-26-24(28)21-15-20(25)16-22(31-3)23(21)32-4/h8-9,13-16H,5-7,10-12,17H2,1-4H3,(H,26,28)/b13-8+,14-9+
InChIKeyAXQPMBYQGCOMMN-UQNWOCKMSA-N
MW509.44 g/mol
LogP4.30
Rot. Bonds12

About N-[4-[4,5-bis[(E)-2-methoxyethenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-5-bromo-2,3-dimethoxybenzamide

N-[4-[4,5-bis[(E)-2-methoxyethenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-5-bromo-2,3-dimethoxybenzamide (PubChem CID 71092010) has the molecular formula C24H33BrN2O5 and a molecular weight of 509.44 g/mol. Its IUPAC name is N-[4-[4,5-bis[(E)-2-methoxyethenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-5-bromo-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[4,5-bis[(E)-2-methoxyethenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-5-bromo-2,3-dimethoxybenzamide
PubChem CID71092010
Molecular FormulaC24H33BrN2O5
Molecular Weight509.44 g/mol
Exact Mass508.16
IUPAC NameN-[4-[4,5-bis[(E)-2-methoxyethenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-5-bromo-2,3-dimethoxybenzamide
SMILESCO/C=C/C1=C(/C=C/OC)CN(CCCCNC(=O)c2cc(Br)cc(OC)c2OC)CC1
InChIInChI=1S/C24H33BrN2O5/c1-29-13-8-18-7-12-27(17-19(18)9-14-30-2)11-6-5-10-26-24(28)21-15-20(25)16-22(31-3)23(21)32-4/h8-9,13-16H,5-7,10-12,17H2,1-4H3,(H,26,28)/b13-8+,14-9+
InChIKeyAXQPMBYQGCOMMN-UQNWOCKMSA-N
XLogP4.30
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[4,5-bis[(E)-2-methoxyethenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-5-bromo-2,3-dimethoxybenzamide 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

5-bromo-N-[4-(7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]-2,3-dimethoxybenzamide
CID 53326540
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2,3-dimethoxy-5-tributylstannylbenzamide
CID 140876394
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-iodo-2,3-dimethoxybenzamide
CID 25184874
[3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylcarbamoyl]-4,5-dimethoxyphenyl](211At)astatine-211
CID 140876397
5-bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-(2-(18F)fluoroethoxy)(18F)benzamide
CID 16737193
4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 81464328
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methoxybenzamide
CID 39614122
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
5-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide;hydrobromide
CID 46781582
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-(2-(18F)fluoroethoxy)-3-(hydroxymethyl)-5-iodo(18F)benzamide
CID 58444227
5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 14665499
N-(4-pyrrolidin-1-ylbutyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75355316

Frequently Asked Questions

What is the IUPAC name of N-[4-[4,5-bis[(E)-2-methoxyethenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-5-bromo-2,3-dimethoxybenzamide?
The IUPAC name of N-[4-[4,5-bis[(E)-2-methoxyethenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-5-bromo-2,3-dimethoxybenzamide (CID 71092010) is N-[4-[4,5-bis[(E)-2-methoxyethenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-5-bromo-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[4-[4,5-bis[(E)-2-methoxyethenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-5-bromo-2,3-dimethoxybenzamide?
The canonical SMILES for N-[4-[4,5-bis[(E)-2-methoxyethenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-5-bromo-2,3-dimethoxybenzamide is CO/C=C/C1=C(/C=C/OC)CN(CCCCNC(=O)c2cc(Br)cc(OC)c2OC)CC1.
What is the InChIKey of N-[4-[4,5-bis[(E)-2-methoxyethenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-5-bromo-2,3-dimethoxybenzamide?
The InChIKey is AXQPMBYQGCOMMN-UQNWOCKMSA-N. The full InChI is InChI=1S/C24H33BrN2O5/c1-29-13-8-18-7-12-27(17-19(18)9-14-30-2)11-6-5-10-26-24(28)21-15-20(25)16-22(31-3)23(21)32-4/h8-9,13-16H,5-7,10-12,17H2,1-4H3,(H,26,28)/b13-8+,14-9+.
What are the key properties of N-[4-[4,5-bis[(E)-2-methoxyethenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-5-bromo-2,3-dimethoxybenzamide?
N-[4-[4,5-bis[(E)-2-methoxyethenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-5-bromo-2,3-dimethoxybenzamide has a molecular weight of 509.44 g/mol, XLogP of 4.30, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4,5-bis[(E)-2-methoxyethenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-5-bromo-2,3-dimethoxybenzamide is sourced from PubChem (CID 71092010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).