[6-cyano-1-(naphthalen-1-ylmethyl)indol-2-yl]carbamic acid

C21H15N3O2 — CID 146459969

IUPAC[6-cyano-1-(naphthalen-1-ylmethyl)indol-2-yl]carbamic acid
SMILESN#Cc1ccc2cc(NC(=O)O)n(Cc3cccc4ccccc34)c2c1
InChIInChI=1S/C21H15N3O2/c22-12-14-8-9-16-11-20(23-21(25)26)24(19(16)10-14)13-17-6-3-5-15-4-1-2-7-18(15)17/h1-11,23H,13H2,(H,25,26)
InChIKeyGSJRGDFIZCQZRY-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.80
Rot. Bonds3

About [6-cyano-1-(naphthalen-1-ylmethyl)indol-2-yl]carbamic acid

[6-cyano-1-(naphthalen-1-ylmethyl)indol-2-yl]carbamic acid (PubChem CID 146459969) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is [6-cyano-1-(naphthalen-1-ylmethyl)indol-2-yl]carbamic acid.

Molecular Properties

Compound Name[6-cyano-1-(naphthalen-1-ylmethyl)indol-2-yl]carbamic acid
PubChem CID146459969
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name[6-cyano-1-(naphthalen-1-ylmethyl)indol-2-yl]carbamic acid
SMILESN#Cc1ccc2cc(NC(=O)O)n(Cc3cccc4ccccc34)c2c1
InChIInChI=1S/C21H15N3O2/c22-12-14-8-9-16-11-20(23-21(25)26)24(19(16)10-14)13-17-6-3-5-15-4-1-2-7-18(15)17/h1-11,23H,13H2,(H,25,26)
InChIKeyGSJRGDFIZCQZRY-UHFFFAOYSA-N
XLogP4.80
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[9-(4-Cyano-3-fluorophenyl)carbazol-4-yl]-2-pyridinyl]carbamic acid
CID 68632808
2-Oxo-9-phenyl-2,3-dihydro-1H-imidazo[1,2-a]-indole-6,7-dicarbonitrile
CID 138373926
1-[1-Methyl-3-(4-methylphenyl)indol-2-yl]-3-phenylurea
CID 12500228
1-[1-Methyl-3-(4-propan-2-ylphenyl)indol-2-yl]-3-phenylurea
CID 12500229
[(6aR)-4-methyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-5-yl]urea
CID 54385327
[5-(9H-carbazol-4-yl)-2-pyridinyl]carbamic acid
CID 68634426
[(6aR)-4-pentyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-5-yl]urea
CID 70422464
N,N,8-trimethyl-8-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaen-7-amine
CID 89117184
(4-cyano-1H-indol-2-yl)-methylcarbamic acid
CID 118141360
9-Phenyl-10-[3-[9-(3-phenylphenyl)-1,2-dihydropyrido[2,3-b]indol-6-yl]phenyl]-8a,9-dihydroanthracene-2-carbonitrile
CID 130449589
Ethane;2-[(3-hexyl-4-phenylphenyl)methylamino]-1-pentan-3-ylindole-3-carbonitrile
CID 143952851
2-(7-Methyl-9,10-diphenylanthracen-2-yl)-5-(9-phenyl-1,2-dihydropyrido[2,3-b]indol-6-yl)benzonitrile
CID 146360994

Frequently Asked Questions

What is the IUPAC name of [6-cyano-1-(naphthalen-1-ylmethyl)indol-2-yl]carbamic acid?
The IUPAC name of [6-cyano-1-(naphthalen-1-ylmethyl)indol-2-yl]carbamic acid (CID 146459969) is [6-cyano-1-(naphthalen-1-ylmethyl)indol-2-yl]carbamic acid.
What is the SMILES notation for [6-cyano-1-(naphthalen-1-ylmethyl)indol-2-yl]carbamic acid?
The canonical SMILES for [6-cyano-1-(naphthalen-1-ylmethyl)indol-2-yl]carbamic acid is N#Cc1ccc2cc(NC(=O)O)n(Cc3cccc4ccccc34)c2c1.
What is the InChIKey of [6-cyano-1-(naphthalen-1-ylmethyl)indol-2-yl]carbamic acid?
The InChIKey is GSJRGDFIZCQZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c22-12-14-8-9-16-11-20(23-21(25)26)24(19(16)10-14)13-17-6-3-5-15-4-1-2-7-18(15)17/h1-11,23H,13H2,(H,25,26).
What are the key properties of [6-cyano-1-(naphthalen-1-ylmethyl)indol-2-yl]carbamic acid?
[6-cyano-1-(naphthalen-1-ylmethyl)indol-2-yl]carbamic acid has a molecular weight of 341.37 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyano-1-(naphthalen-1-ylmethyl)indol-2-yl]carbamic acid is sourced from PubChem (CID 146459969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).