N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide

C15H17N3O — CID 103998615

IUPACN-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESN#CCCN(C(=O)c1ccc2c(c1)CNC2)C1CC1
InChIInChI=1S/C15H17N3O/c16-6-1-7-18(14-4-5-14)15(19)11-2-3-12-9-17-10-13(12)8-11/h2-3,8,14,17H,1,4-5,7,9-10H2
InChIKeyXFMQONYLXPNBIO-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.81
Rot. Bonds4

About N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide

N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998615) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998615
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESN#CCCN(C(=O)c1ccc2c(c1)CNC2)C1CC1
InChIInChI=1S/C15H17N3O/c16-6-1-7-18(14-4-5-14)15(19)11-2-3-12-9-17-10-13(12)8-11/h2-3,8,14,17H,1,4-5,7,9-10H2
InChIKeyXFMQONYLXPNBIO-UHFFFAOYSA-N
XLogP1.81
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997858
N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 102861861
N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide
CID 54997505
N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56784305
N,N-bis(cyanomethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997742
N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997969
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide
CID 54982144
N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
CID 112702167
N-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide
CID 62919298
N-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998500
N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide
CID 114820604
N-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide
CID 115592849

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998615) is N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide is N#CCCN(C(=O)c1ccc2c(c1)CNC2)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is XFMQONYLXPNBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-6-1-7-18(14-4-5-14)15(19)11-2-3-12-9-17-10-13(12)8-11/h2-3,8,14,17H,1,4-5,7,9-10H2.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).