2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide

C21H18N2O — CID 91690131

IUPAC2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide
SMILESCc1c(C(N)=O)c2ccccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C21H18N2O/c1-14-20(21(22)24)18-8-4-5-9-19(18)23(14)13-15-10-11-16-6-2-3-7-17(16)12-15/h2-12H,13H2,1H3,(H2,22,24)
InChIKeyQWQZZLBSWDPMDK-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.25
Rot. Bonds3

About 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide

2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide (PubChem CID 91690131) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide
PubChem CID91690131
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide
SMILESCc1c(C(N)=O)c2ccccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C21H18N2O/c1-14-20(21(22)24)18-8-4-5-9-19(18)23(14)13-15-10-11-16-6-2-3-7-17(16)12-15/h2-12H,13H2,1H3,(H2,22,24)
InChIKeyQWQZZLBSWDPMDK-UHFFFAOYSA-N
XLogP4.25
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide
CID 91690132
2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid
CID 18373351
1-benzyl-5-hydroxy-2-methylindole-3-carboxamide
CID 3843286
2-methyl-1-[(3-methylphenyl)methyl]indole-3-carboxylic acid
CID 91690082
1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide
CID 3852732
4-[(3-acetyl-2-methylindol-1-yl)methyl]benzonitrile
CID 143390976
N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide
CID 10712336
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(naphthalen-2-ylmethyl)-2-oxoquinoline-3-carboxylate
CID 23543890
9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366921
6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide
CID 3790292
2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide
CID 91690120
1-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]ethanone
CID 143391090

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide?
The IUPAC name of 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide (CID 91690131) is 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide.
What is the SMILES notation for 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide?
The canonical SMILES for 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide is Cc1c(C(N)=O)c2ccccc2n1Cc1ccc2ccccc2c1.
What is the InChIKey of 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide?
The InChIKey is QWQZZLBSWDPMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-14-20(21(22)24)18-8-4-5-9-19(18)23(14)13-15-10-11-16-6-2-3-7-17(16)12-15/h2-12H,13H2,1H3,(H2,22,24).
What are the key properties of 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide?
2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 91690131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).