4-[ethyl(propanoyl)amino]-N-[3-methoxy-5-(2-pyridin-2-ylethynyl)phenyl]benzamide

C26H25N3O3 — CID 168957697

IUPAC4-[ethyl(propanoyl)amino]-N-[3-methoxy-5-(2-pyridin-2-ylethynyl)phenyl]benzamide
SMILESCCC(=O)N(CC)c1ccc(C(=O)Nc2cc(C#Cc3ccccn3)cc(OC)c2)cc1
InChIInChI=1S/C26H25N3O3/c1-4-25(30)29(5-2)23-13-10-20(11-14-23)26(31)28-22-16-19(17-24(18-22)32-3)9-12-21-8-6-7-15-27-21/h6-8,10-11,13-18H,4-5H2,1-3H3,(H,28,31)
InChIKeyFZWTWDPHVJVUGM-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.51
Rot. Bonds6

About 4-[ethyl(propanoyl)amino]-N-[3-methoxy-5-(2-pyridin-2-ylethynyl)phenyl]benzamide

4-[ethyl(propanoyl)amino]-N-[3-methoxy-5-(2-pyridin-2-ylethynyl)phenyl]benzamide (PubChem CID 168957697) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 4-[ethyl(propanoyl)amino]-N-[3-methoxy-5-(2-pyridin-2-ylethynyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[ethyl(propanoyl)amino]-N-[3-methoxy-5-(2-pyridin-2-ylethynyl)phenyl]benzamide
PubChem CID168957697
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name4-[ethyl(propanoyl)amino]-N-[3-methoxy-5-(2-pyridin-2-ylethynyl)phenyl]benzamide
SMILESCCC(=O)N(CC)c1ccc(C(=O)Nc2cc(C#Cc3ccccn3)cc(OC)c2)cc1
InChIInChI=1S/C26H25N3O3/c1-4-25(30)29(5-2)23-13-10-20(11-14-23)26(31)28-22-16-19(17-24(18-22)32-3)9-12-21-8-6-7-15-27-21/h6-8,10-11,13-18H,4-5H2,1-3H3,(H,28,31)
InChIKeyFZWTWDPHVJVUGM-UHFFFAOYSA-N
XLogP4.51
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[ethyl(propanoyl)amino]-N-[3-methoxy-5-(2-pyridin-2-ylethynyl)phenyl]benzamide 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

methyl N-methyl-N-[4-[[3-(2-pyridin-2-ylethynyl)phenyl]carbamoyl]phenyl]carbamate
CID 168957709
4-fluoro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 18225707
2,4-dimethoxy-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 31404262
3-[(4-ethoxybenzoyl)amino]-N-ethyl-N-phenylbenzamide
CID 17221972
N-(4-tert-butylphenyl)-3-(2-pyridin-2-ylethynyl)benzamide
CID 168817074
2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 78889053
4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67537979
N-(3,5-dimethoxyphenyl)-4-(methylamino)benzamide
CID 62170663
4-(difluoromethylsulfonyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 18292955
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
3-bromo-5-fluoro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 55718669
3-[methyl(phenyl)sulfamoyl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 31404296

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propanoyl)amino]-N-[3-methoxy-5-(2-pyridin-2-ylethynyl)phenyl]benzamide?
The IUPAC name of 4-[ethyl(propanoyl)amino]-N-[3-methoxy-5-(2-pyridin-2-ylethynyl)phenyl]benzamide (CID 168957697) is 4-[ethyl(propanoyl)amino]-N-[3-methoxy-5-(2-pyridin-2-ylethynyl)phenyl]benzamide.
What is the SMILES notation for 4-[ethyl(propanoyl)amino]-N-[3-methoxy-5-(2-pyridin-2-ylethynyl)phenyl]benzamide?
The canonical SMILES for 4-[ethyl(propanoyl)amino]-N-[3-methoxy-5-(2-pyridin-2-ylethynyl)phenyl]benzamide is CCC(=O)N(CC)c1ccc(C(=O)Nc2cc(C#Cc3ccccn3)cc(OC)c2)cc1.
What is the InChIKey of 4-[ethyl(propanoyl)amino]-N-[3-methoxy-5-(2-pyridin-2-ylethynyl)phenyl]benzamide?
The InChIKey is FZWTWDPHVJVUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-4-25(30)29(5-2)23-13-10-20(11-14-23)26(31)28-22-16-19(17-24(18-22)32-3)9-12-21-8-6-7-15-27-21/h6-8,10-11,13-18H,4-5H2,1-3H3,(H,28,31).
What are the key properties of 4-[ethyl(propanoyl)amino]-N-[3-methoxy-5-(2-pyridin-2-ylethynyl)phenyl]benzamide?
4-[ethyl(propanoyl)amino]-N-[3-methoxy-5-(2-pyridin-2-ylethynyl)phenyl]benzamide has a molecular weight of 427.50 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propanoyl)amino]-N-[3-methoxy-5-(2-pyridin-2-ylethynyl)phenyl]benzamide is sourced from PubChem (CID 168957697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).