N-[(E)-1-(1H-indol-3-yl)-3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxoprop-1-en-2-yl]benzamide

C26H24N4O2 — CID 124658254

IUPACN-[(E)-1-(1H-indol-3-yl)-3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxoprop-1-en-2-yl]benzamide
SMILESCN(CCc1ccccn1)C(=O)/C(=C\c1c[nH]c2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C26H24N4O2/c1-30(16-14-21-11-7-8-15-27-21)26(32)24(29-25(31)19-9-3-2-4-10-19)17-20-18-28-23-13-6-5-12-22(20)23/h2-13,15,17-18,28H,14,16H2,1H3,(H,29,31)/b24-17+
InChIKeyIPSHYNSFMZKLLP-JJIBRWJFSA-N
MW424.50 g/mol
LogP4.03
Rot. Bonds7

About N-[(E)-1-(1H-indol-3-yl)-3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxoprop-1-en-2-yl]benzamide

N-[(E)-1-(1H-indol-3-yl)-3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 124658254) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[(E)-1-(1H-indol-3-yl)-3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(1H-indol-3-yl)-3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxoprop-1-en-2-yl]benzamide
PubChem CID124658254
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-[(E)-1-(1H-indol-3-yl)-3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxoprop-1-en-2-yl]benzamide
SMILESCN(CCc1ccccn1)C(=O)/C(=C\c1c[nH]c2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C26H24N4O2/c1-30(16-14-21-11-7-8-15-27-21)26(32)24(29-25(31)19-9-3-2-4-10-19)17-20-18-28-23-13-6-5-12-22(20)23/h2-13,15,17-18,28H,14,16H2,1H3,(H,29,31)/b24-17+
InChIKeyIPSHYNSFMZKLLP-JJIBRWJFSA-N
XLogP4.03
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(E)-1-(1H-indol-3-yl)-3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxoprop-1-en-2-yl]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

[(E)-1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid
CID 67853578
[1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid
CID 67853573
N-[(E)-1-(1H-indol-3-yl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-en-2-yl]benzamide
CID 124658282
N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide
CID 19059519
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
N-[(E)-1-(1H-indol-3-yl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 124658262
2-[[(E)-3-(1H-indol-3-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoyl]amino]acetic acid
CID 171983393
N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide
CID 176872849
N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(1H-indol-3-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 19059503
N-[(E)-1-(1H-indol-3-yl)-3-oxo-3-[(3,4,5-trimethoxyphenyl)methylamino]prop-1-en-2-yl]benzamide
CID 124658230
N-[(E)-3-(4-benzylpiperazin-1-yl)-1-(1H-indol-3-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 124658281
N-[(Z)-1-[4-(dimethylamino)phenyl]-3-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 135900978

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1H-indol-3-yl)-3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-1-(1H-indol-3-yl)-3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxoprop-1-en-2-yl]benzamide (CID 124658254) is N-[(E)-1-(1H-indol-3-yl)-3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-1-(1H-indol-3-yl)-3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-1-(1H-indol-3-yl)-3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxoprop-1-en-2-yl]benzamide is CN(CCc1ccccn1)C(=O)/C(=C\c1c[nH]c2ccccc12)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-1-(1H-indol-3-yl)-3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is IPSHYNSFMZKLLP-JJIBRWJFSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-30(16-14-21-11-7-8-15-27-21)26(32)24(29-25(31)19-9-3-2-4-10-19)17-20-18-28-23-13-6-5-12-22(20)23/h2-13,15,17-18,28H,14,16H2,1H3,(H,29,31)/b24-17+.
What are the key properties of N-[(E)-1-(1H-indol-3-yl)-3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxoprop-1-en-2-yl]benzamide?
N-[(E)-1-(1H-indol-3-yl)-3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 424.50 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1H-indol-3-yl)-3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 124658254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).