[10-cyano-1-[(3-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate

C25H23N3O4 — CID 66667679

IUPAC[10-cyano-1-[(3-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate
SMILESCCOc1cccc(COc2cc(OC(=O)N(C)C)cc3c2c(C#N)c2ccccn23)c1
InChIInChI=1S/C25H23N3O4/c1-4-30-18-9-7-8-17(12-18)16-31-23-14-19(32-25(29)27(2)3)13-22-24(23)20(15-26)21-10-5-6-11-28(21)22/h5-14H,4,16H2,1-3H3
InChIKeyTVHPJRKLLWILBX-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.00
Rot. Bonds6

About [10-cyano-1-[(3-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate

[10-cyano-1-[(3-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate (PubChem CID 66667679) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is [10-cyano-1-[(3-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[10-cyano-1-[(3-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate
PubChem CID66667679
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name[10-cyano-1-[(3-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate
SMILESCCOc1cccc(COc2cc(OC(=O)N(C)C)cc3c2c(C#N)c2ccccn23)c1
InChIInChI=1S/C25H23N3O4/c1-4-30-18-9-7-8-17(12-18)16-31-23-14-19(32-25(29)27(2)3)13-22-24(23)20(15-26)21-10-5-6-11-28(21)22/h5-14H,4,16H2,1-3H3
InChIKeyTVHPJRKLLWILBX-UHFFFAOYSA-N
XLogP5.00
TPSA76.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [10-cyano-1-[(3-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate with MolForge

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Related Compounds

[10-carbamoyl-1-[(4-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate
CID 66667347
3-(cyanomethoxy)-1-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carboxylic acid
CID 56644096
methyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate
CID 66668012
3-(dimethylcarbamoyloxy)-1-[2-(4-propan-2-yloxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carboxylic acid
CID 66667788
[10-[ethoxy(hydroxy)methyl]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate
CID 123530734
(10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate
CID 56645538
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
7-(cyanomethoxy)-9-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile
CID 66667797
5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide
CID 55844677
3-ethoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17093571
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
2-cyano-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid
CID 67658902

Frequently Asked Questions

What is the IUPAC name of [10-cyano-1-[(3-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate?
The IUPAC name of [10-cyano-1-[(3-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate (CID 66667679) is [10-cyano-1-[(3-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [10-cyano-1-[(3-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate?
The canonical SMILES for [10-cyano-1-[(3-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate is CCOc1cccc(COc2cc(OC(=O)N(C)C)cc3c2c(C#N)c2ccccn23)c1.
What is the InChIKey of [10-cyano-1-[(3-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate?
The InChIKey is TVHPJRKLLWILBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-4-30-18-9-7-8-17(12-18)16-31-23-14-19(32-25(29)27(2)3)13-22-24(23)20(15-26)21-10-5-6-11-28(21)22/h5-14H,4,16H2,1-3H3.
What are the key properties of [10-cyano-1-[(3-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate?
[10-cyano-1-[(3-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate has a molecular weight of 429.48 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [10-cyano-1-[(3-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 66667679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).