N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-phenylpyridine-3-carboxamide

C23H21N3O — CID 155515848

IUPACN-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-phenylpyridine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C23H21N3O/c1-16-19(20-9-5-6-10-22(20)26-16)13-14-24-23(27)18-11-12-21(25-15-18)17-7-3-2-4-8-17/h2-12,15,26H,13-14H2,1H3,(H,24,27)
InChIKeyOMPWPGGHIIKWPY-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.51
Rot. Bonds5

About N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-phenylpyridine-3-carboxamide

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-phenylpyridine-3-carboxamide (PubChem CID 155515848) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-phenylpyridine-3-carboxamide
PubChem CID155515848
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-phenylpyridine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C23H21N3O/c1-16-19(20-9-5-6-10-22(20)26-16)13-14-24-23(27)18-11-12-21(25-15-18)17-7-3-2-4-8-17/h2-12,15,26H,13-14H2,1H3,(H,24,27)
InChIKeyOMPWPGGHIIKWPY-UHFFFAOYSA-N
XLogP4.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10256
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Anamorelin
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Pruvanserin
CID 6433122
Indibulin
CID 2929
Indole-3-acetamide
CID 397
Indole-5-carboxamide
CID 14973220
LY-517717
CID 9939865
1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
CID 10226340

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-phenylpyridine-3-carboxamide (CID 155515848) is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-phenylpyridine-3-carboxamide is Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2ccccc2)nc1.
What is the InChIKey of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-phenylpyridine-3-carboxamide?
The InChIKey is OMPWPGGHIIKWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-16-19(20-9-5-6-10-22(20)26-16)13-14-24-23(27)18-11-12-21(25-15-18)17-7-3-2-4-8-17/h2-12,15,26H,13-14H2,1H3,(H,24,27).
What are the key properties of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-phenylpyridine-3-carboxamide?
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-phenylpyridine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 155515848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).