N-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide

C16H17N3O — CID 47445560

IUPACN-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2n1C)C1(C#N)CCC1
InChIInChI=1S/C16H17N3O/c1-18-13-7-4-3-6-12(13)10-14(18)15(20)19(2)16(11-17)8-5-9-16/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyPCRJTDSYZKNBDU-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.70
Rot. Bonds2

About N-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide

N-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide (PubChem CID 47445560) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide
PubChem CID47445560
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2n1C)C1(C#N)CCC1
InChIInChI=1S/C16H17N3O/c1-18-13-7-4-3-6-12(13)10-14(18)15(20)19(2)16(11-17)8-5-9-16/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyPCRJTDSYZKNBDU-UHFFFAOYSA-N
XLogP2.70
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide?
The IUPAC name of N-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide (CID 47445560) is N-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide.
What is the SMILES notation for N-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide?
The canonical SMILES for N-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide is CN(C(=O)c1cc2ccccc2n1C)C1(C#N)CCC1.
What is the InChIKey of N-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide?
The InChIKey is PCRJTDSYZKNBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-18-13-7-4-3-6-12(13)10-14(18)15(20)19(2)16(11-17)8-5-9-16/h3-4,6-7,10H,5,8-9H2,1-2H3.
What are the key properties of N-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide?
N-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide is sourced from PubChem (CID 47445560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).