N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide

C21H21N3O2 — CID 58328191

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc2ccn(C)c2c1
InChIInChI=1S/C21H21N3O2/c1-13-3-4-15(20(25)22-17-7-8-17)11-18(13)23-21(26)16-6-5-14-9-10-24(2)19(14)12-16/h3-6,9-12,17H,7-8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyPUZHKYXTJMQSQI-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.63
Rot. Bonds4

About N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide (PubChem CID 58328191) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide
PubChem CID58328191
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc2ccn(C)c2c1
InChIInChI=1S/C21H21N3O2/c1-13-3-4-15(20(25)22-17-7-8-17)11-18(13)23-21(26)16-6-5-14-9-10-24(2)19(14)12-16/h3-6,9-12,17H,7-8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyPUZHKYXTJMQSQI-UHFFFAOYSA-N
XLogP3.63
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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LY-517717
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Indoramin hydrochloride
CID 38102
1H-indole-3-carboxamide
CID 2192542
(R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
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2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 11616723
N-(Naphthalen-1-yl)-1-pentyl-1H-indole-3-carboxamide
CID 54752945
N-(1-Adamantyl)-1-pentyl-1H-indole-3-carboxamide
CID 71308155

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide (CID 58328191) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc2ccn(C)c2c1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide?
The InChIKey is PUZHKYXTJMQSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13-3-4-15(20(25)22-17-7-8-17)11-18(13)23-21(26)16-6-5-14-9-10-24(2)19(14)12-16/h3-6,9-12,17H,7-8H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide is sourced from PubChem (CID 58328191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).