N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-6-phenyl-1,2-dihydropyridine-5-carboxamide

C24H25N3O — CID 143932583

IUPACN-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-6-phenyl-1,2-dihydropyridine-5-carboxamide
SMILESCc1[nH]c2c(C)cccc2c1CCNC(=O)C1=C(c2ccccc2)NCC=C1
InChIInChI=1S/C24H25N3O/c1-16-8-6-11-20-19(17(2)27-22(16)20)13-15-26-24(28)21-12-7-14-25-23(21)18-9-4-3-5-10-18/h3-12,25,27H,13-15H2,1-2H3,(H,26,28)
InChIKeyJHOYBSNWFBCCQS-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.01
Rot. Bonds5

About N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-6-phenyl-1,2-dihydropyridine-5-carboxamide

N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-6-phenyl-1,2-dihydropyridine-5-carboxamide (PubChem CID 143932583) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-6-phenyl-1,2-dihydropyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-6-phenyl-1,2-dihydropyridine-5-carboxamide
PubChem CID143932583
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC NameN-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-6-phenyl-1,2-dihydropyridine-5-carboxamide
SMILESCc1[nH]c2c(C)cccc2c1CCNC(=O)C1=C(c2ccccc2)NCC=C1
InChIInChI=1S/C24H25N3O/c1-16-8-6-11-20-19(17(2)27-22(16)20)13-15-26-24(28)21-12-7-14-25-23(21)18-9-4-3-5-10-18/h3-12,25,27H,13-15H2,1-2H3,(H,26,28)
InChIKeyJHOYBSNWFBCCQS-UHFFFAOYSA-N
XLogP4.01
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide
CID 44624445
3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide
CID 44624444
N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494841
quinoxalin-2-yl N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamate
CID 91132976
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
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2,7-dimethyl-N-propyl-1H-indole-3-carboxamide
CID 65335219
2,3-dihydroxybutanedioic acid;2-(2,7-dimethyl-1H-indol-3-yl)ethanamine
CID 6612556
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine
CID 96674967
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
6-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 3273445
N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine
CID 65335557

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-6-phenyl-1,2-dihydropyridine-5-carboxamide?
The IUPAC name of N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-6-phenyl-1,2-dihydropyridine-5-carboxamide (CID 143932583) is N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-6-phenyl-1,2-dihydropyridine-5-carboxamide.
What is the SMILES notation for N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-6-phenyl-1,2-dihydropyridine-5-carboxamide?
The canonical SMILES for N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-6-phenyl-1,2-dihydropyridine-5-carboxamide is Cc1[nH]c2c(C)cccc2c1CCNC(=O)C1=C(c2ccccc2)NCC=C1.
What is the InChIKey of N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-6-phenyl-1,2-dihydropyridine-5-carboxamide?
The InChIKey is JHOYBSNWFBCCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-16-8-6-11-20-19(17(2)27-22(16)20)13-15-26-24(28)21-12-7-14-25-23(21)18-9-4-3-5-10-18/h3-12,25,27H,13-15H2,1-2H3,(H,26,28).
What are the key properties of N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-6-phenyl-1,2-dihydropyridine-5-carboxamide?
N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-6-phenyl-1,2-dihydropyridine-5-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-6-phenyl-1,2-dihydropyridine-5-carboxamide is sourced from PubChem (CID 143932583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).