N-(2-cyanoethyl)-1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide

C19H23N3O3 — CID 167925608

IUPACN-(2-cyanoethyl)-1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCN(CCC#N)C(=O)C1CC(O)CN1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H23N3O3/c1-21(9-3-8-20)19(25)17-11-16(23)12-22(17)18(24)15-7-6-13-4-2-5-14(13)10-15/h6-7,10,16-17,23H,2-5,9,11-12H2,1H3
InChIKeyCZQMQSYETFZFTH-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.12
Rot. Bonds4

About N-(2-cyanoethyl)-1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide

N-(2-cyanoethyl)-1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 167925608) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(2-cyanoethyl)-1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide
PubChem CID167925608
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(2-cyanoethyl)-1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCN(CCC#N)C(=O)C1CC(O)CN1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H23N3O3/c1-21(9-3-8-20)19(25)17-11-16(23)12-22(17)18(24)15-7-6-13-4-2-5-14(13)10-15/h6-7,10,16-17,23H,2-5,9,11-12H2,1H3
InChIKeyCZQMQSYETFZFTH-UHFFFAOYSA-N
XLogP1.12
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 166303347
[1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidin-2-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 167910990
3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile
CID 62036641
N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 60699391
(2-phenoxyphenyl)methyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 167952092
(2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 61162121
N-[(3-bromocyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 80672016
3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile
CID 115230731
N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 86971881
N-(2-cyanoethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997858
N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56784305
(2S)-1-(4-cyanobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61152938

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide (CID 167925608) is N-(2-cyanoethyl)-1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide is CN(CCC#N)C(=O)C1CC(O)CN1C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2-cyanoethyl)-1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is CZQMQSYETFZFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-21(9-3-8-20)19(25)17-11-16(23)12-22(17)18(24)15-7-6-13-4-2-5-14(13)10-15/h6-7,10,16-17,23H,2-5,9,11-12H2,1H3.
What are the key properties of N-(2-cyanoethyl)-1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
N-(2-cyanoethyl)-1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 167925608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).