N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide

C20H19N3O — CID 55882184

IUPACN-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1ccc(N2CCc3ccccc32)cc1
InChIInChI=1S/C20H19N3O/c1-22-13-4-7-19(22)20(24)21-16-8-10-17(11-9-16)23-14-12-15-5-2-3-6-18(15)23/h2-11,13H,12,14H2,1H3,(H,21,24)
InChIKeyLKNUYPONFIIKAW-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.97
Rot. Bonds3

About N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide

N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 55882184) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID55882184
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1ccc(N2CCc3ccccc32)cc1
InChIInChI=1S/C20H19N3O/c1-22-13-4-7-19(22)20(24)21-16-8-10-17(11-9-16)23-14-12-15-5-2-3-6-18(15)23/h2-11,13H,12,14H2,1H3,(H,21,24)
InChIKeyLKNUYPONFIIKAW-UHFFFAOYSA-N
XLogP3.97
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide
CID 112986176
N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide
CID 112986182
N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55880912
N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide
CID 112986213
N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide
CID 4791148
1-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrole-2-carboxamide
CID 78875733
5-(cyclopropylsulfamoyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-methylbenzamide
CID 55731282
N-[4-(2,3-dihydroindol-1-yl)phenyl]-4,5-dimethoxy-2-nitrobenzamide
CID 55882312
4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109219625
2-methoxyethyl 5-[[4-(2,3-dihydroindol-1-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55880783
5-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109242491
N-(3-acetamidophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109197843

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide (CID 55882184) is N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)Nc1ccc(N2CCc3ccccc32)cc1.
What is the InChIKey of N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is LKNUYPONFIIKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-22-13-4-7-19(22)20(24)21-16-8-10-17(11-9-16)23-14-12-15-5-2-3-6-18(15)23/h2-11,13H,12,14H2,1H3,(H,21,24).
What are the key properties of N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide?
N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 55882184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).