N-(3-cyano-6-methoxy-1-methylindol-2-yl)-3-methylbenzamide;ethane

C21H23N3O2 — CID 143184231

IUPACN-(3-cyano-6-methoxy-1-methylindol-2-yl)-3-methylbenzamide;ethane
SMILESCC.COc1ccc2c(C#N)c(NC(=O)c3cccc(C)c3)n(C)c2c1
InChIInChI=1S/C19H17N3O2.C2H6/c1-12-5-4-6-13(9-12)19(23)21-18-16(11-20)15-8-7-14(24-3)10-17(15)22(18)2;1-2/h4-10H,1-3H3,(H,21,23);1-2H3
InChIKeyUNTXNCGOBULLRS-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.65
Rot. Bonds3

About N-(3-cyano-6-methoxy-1-methylindol-2-yl)-3-methylbenzamide;ethane

N-(3-cyano-6-methoxy-1-methylindol-2-yl)-3-methylbenzamide;ethane (PubChem CID 143184231) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(3-cyano-6-methoxy-1-methylindol-2-yl)-3-methylbenzamide;ethane.

Molecular Properties

Compound NameN-(3-cyano-6-methoxy-1-methylindol-2-yl)-3-methylbenzamide;ethane
PubChem CID143184231
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(3-cyano-6-methoxy-1-methylindol-2-yl)-3-methylbenzamide;ethane
SMILESCC.COc1ccc2c(C#N)c(NC(=O)c3cccc(C)c3)n(C)c2c1
InChIInChI=1S/C19H17N3O2.C2H6/c1-12-5-4-6-13(9-12)19(23)21-18-16(11-20)15-8-7-14(24-3)10-17(15)22(18)2;1-2/h4-10H,1-3H3,(H,21,23);1-2H3
InChIKeyUNTXNCGOBULLRS-UHFFFAOYSA-N
XLogP4.65
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-fluorobenzamide
CID 58694191
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide
CID 58694488
ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143185175
1-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 59576516
propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143183965
N-(cyanomethyl)-3-methylbenzamide;ethane
CID 145337674
ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 59424974
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
CID 88880986
CID 88880986
3-methoxy-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 4226621
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-6-methoxy-1-methylindol-2-yl)-3-methylbenzamide;ethane?
The IUPAC name of N-(3-cyano-6-methoxy-1-methylindol-2-yl)-3-methylbenzamide;ethane (CID 143184231) is N-(3-cyano-6-methoxy-1-methylindol-2-yl)-3-methylbenzamide;ethane.
What is the SMILES notation for N-(3-cyano-6-methoxy-1-methylindol-2-yl)-3-methylbenzamide;ethane?
The canonical SMILES for N-(3-cyano-6-methoxy-1-methylindol-2-yl)-3-methylbenzamide;ethane is CC.COc1ccc2c(C#N)c(NC(=O)c3cccc(C)c3)n(C)c2c1.
What is the InChIKey of N-(3-cyano-6-methoxy-1-methylindol-2-yl)-3-methylbenzamide;ethane?
The InChIKey is UNTXNCGOBULLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2.C2H6/c1-12-5-4-6-13(9-12)19(23)21-18-16(11-20)15-8-7-14(24-3)10-17(15)22(18)2;1-2/h4-10H,1-3H3,(H,21,23);1-2H3.
What are the key properties of N-(3-cyano-6-methoxy-1-methylindol-2-yl)-3-methylbenzamide;ethane?
N-(3-cyano-6-methoxy-1-methylindol-2-yl)-3-methylbenzamide;ethane has a molecular weight of 349.43 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-6-methoxy-1-methylindol-2-yl)-3-methylbenzamide;ethane is sourced from PubChem (CID 143184231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).