N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide

C20H17N3O2 — CID 90550420

IUPACN-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide
SMILESCNC(=O)c1ccccc1C#CCNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H17N3O2/c1-21-19(24)15-9-3-2-7-14(15)8-6-12-22-20(25)17-13-23-18-11-5-4-10-16(17)18/h2-5,7,9-11,13,23H,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyNTBVPYJPLATRJA-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.31
Rot. Bonds3

About N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide

N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide (PubChem CID 90550420) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide
PubChem CID90550420
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide
SMILESCNC(=O)c1ccccc1C#CCNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H17N3O2/c1-21-19(24)15-9-3-2-7-14(15)8-6-12-22-20(25)17-13-23-18-11-5-4-10-16(17)18/h2-5,7,9-11,13,23H,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyNTBVPYJPLATRJA-UHFFFAOYSA-N
XLogP2.31
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,3-thiazole-4-carboxamide
CID 90550228
2-methyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-3-nitrobenzamide
CID 90550335
N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 90550236
N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
CID 60919239
N-(2-cyanopropyl)-1H-indole-3-carboxamide
CID 62651700
5-cyclopropyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide
CID 90550470
4-methyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide
CID 90550468
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide
CID 84541178
N-[4-(3-bromophenoxy)but-2-ynyl]-1H-indole-3-carboxamide
CID 90576568
6-nitro-N-(3-phenylprop-2-ynyl)-1H-indole-3-carboxamide
CID 75413903

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide (CID 90550420) is N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide is CNC(=O)c1ccccc1C#CCNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide?
The InChIKey is NTBVPYJPLATRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-21-19(24)15-9-3-2-7-14(15)8-6-12-22-20(25)17-13-23-18-11-5-4-10-16(17)18/h2-5,7,9-11,13,23H,12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide?
N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 90550420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).