N-[2-(1H-indol-3-yl)-2-(3-methylphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

C23H21N3O2 — CID 110610468

IUPACN-[2-(1H-indol-3-yl)-2-(3-methylphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(C(CNC(=O)c2ccc(=O)[nH]c2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H21N3O2/c1-15-5-4-6-16(11-15)19(20-14-24-21-8-3-2-7-18(20)21)13-26-23(28)17-9-10-22(27)25-12-17/h2-12,14,19,24H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyKJGADJOTJUINSI-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.73
Rot. Bonds5

About N-[2-(1H-indol-3-yl)-2-(3-methylphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[2-(1H-indol-3-yl)-2-(3-methylphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 110610468) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-(3-methylphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-(3-methylphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID110610468
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[2-(1H-indol-3-yl)-2-(3-methylphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(C(CNC(=O)c2ccc(=O)[nH]c2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H21N3O2/c1-15-5-4-6-16(11-15)19(20-14-24-21-8-3-2-7-18(20)21)13-26-23(28)17-9-10-22(27)25-12-17/h2-12,14,19,24H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyKJGADJOTJUINSI-UHFFFAOYSA-N
XLogP3.73
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643
3-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130101
4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46692237
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
CID 35180736
4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 2489680
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51154964
4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
CID 46521063
N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide
CID 3537942
3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide
CID 3422452
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46553423
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide
CID 17449245
N-butan-2-yl-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide
CID 3529601

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-(3-methylphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-(3-methylphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 110610468) is N-[2-(1H-indol-3-yl)-2-(3-methylphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-(3-methylphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-(3-methylphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1cccc(C(CNC(=O)c2ccc(=O)[nH]c2)c2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-(3-methylphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KJGADJOTJUINSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-15-5-4-6-16(11-15)19(20-14-24-21-8-3-2-7-18(20)21)13-26-23(28)17-9-10-22(27)25-12-17/h2-12,14,19,24H,13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-(1H-indol-3-yl)-2-(3-methylphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(1H-indol-3-yl)-2-(3-methylphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-(3-methylphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110610468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).