N-methyl-N-[(E)-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-enyl]benzamide

C24H23N3O — CID 175664990

IUPACN-methyl-N-[(E)-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-enyl]benzamide
SMILESCc1ncc(/C=C/CCN(C)C(=O)c2ccccc2)c2c1[nH]c1ccccc12
InChIInChI=1S/C24H23N3O/c1-17-23-22(20-13-6-7-14-21(20)26-23)19(16-25-17)12-8-9-15-27(2)24(28)18-10-4-3-5-11-18/h3-8,10-14,16,26H,9,15H2,1-2H3/b12-8+
InChIKeyMFMIDOSQUQFAII-XYOKQWHBSA-N
MW369.47 g/mol
LogP5.20
Rot. Bonds5

About N-methyl-N-[(E)-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-enyl]benzamide

N-methyl-N-[(E)-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-enyl]benzamide (PubChem CID 175664990) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-methyl-N-[(E)-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-enyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[(E)-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-enyl]benzamide
PubChem CID175664990
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC NameN-methyl-N-[(E)-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-enyl]benzamide
SMILESCc1ncc(/C=C/CCN(C)C(=O)c2ccccc2)c2c1[nH]c1ccccc12
InChIInChI=1S/C24H23N3O/c1-17-23-22(20-13-6-7-14-21(20)26-23)19(16-25-17)12-8-9-15-27(2)24(28)18-10-4-3-5-11-18/h3-8,10-14,16,26H,9,15H2,1-2H3/b12-8+
InChIKeyMFMIDOSQUQFAII-XYOKQWHBSA-N
XLogP5.20
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-[(E)-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-enyl]benzamide with MolForge

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Related Compounds

(E)-N-methyl-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-en-1-amine
CID 175664989
4-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 11481274
methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate
CID 13351962
N-[2-(dimethylamino)ethyl]-N-methyl-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide
CID 155529478
N-(2-aminoethyl)-N-methylbenzamide
CID 28707416
N,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide
CID 171134567
3-[methyl-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)amino]propanoic acid
CID 119362374
N-(5-bromopentyl)-N-methylbenzamide
CID 10356494
4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-yn-1-amine
CID 166440973
(E)-6-(2-methyl-1H-indol-3-yl)hex-5-enoic acid
CID 82293705
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 60989084

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-enyl]benzamide?
The IUPAC name of N-methyl-N-[(E)-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-enyl]benzamide (CID 175664990) is N-methyl-N-[(E)-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-enyl]benzamide.
What is the SMILES notation for N-methyl-N-[(E)-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-enyl]benzamide?
The canonical SMILES for N-methyl-N-[(E)-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-enyl]benzamide is Cc1ncc(/C=C/CCN(C)C(=O)c2ccccc2)c2c1[nH]c1ccccc12.
What is the InChIKey of N-methyl-N-[(E)-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-enyl]benzamide?
The InChIKey is MFMIDOSQUQFAII-XYOKQWHBSA-N. The full InChI is InChI=1S/C24H23N3O/c1-17-23-22(20-13-6-7-14-21(20)26-23)19(16-25-17)12-8-9-15-27(2)24(28)18-10-4-3-5-11-18/h3-8,10-14,16,26H,9,15H2,1-2H3/b12-8+.
What are the key properties of N-methyl-N-[(E)-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-enyl]benzamide?
N-methyl-N-[(E)-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-enyl]benzamide has a molecular weight of 369.47 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-enyl]benzamide is sourced from PubChem (CID 175664990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).