1-[[3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopentyl]methyl]pyrrole-2-carbonitrile

C18H23N5O — CID 18453339

IUPAC1-[[3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopentyl]methyl]pyrrole-2-carbonitrile
SMILESN#Cc1cccn1CC1CCC(NCC(=O)N2CCCC2C#N)C1
InChIInChI=1S/C18H23N5O/c19-10-16-3-1-7-22(16)13-14-5-6-15(9-14)21-12-18(24)23-8-2-4-17(23)11-20/h1,3,7,14-15,17,21H,2,4-6,8-9,12-13H2
InChIKeyMSXKKBCRWHYGSD-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.63
Rot. Bonds5

About 1-[[3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopentyl]methyl]pyrrole-2-carbonitrile

1-[[3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopentyl]methyl]pyrrole-2-carbonitrile (PubChem CID 18453339) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[[3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopentyl]methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-[[3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopentyl]methyl]pyrrole-2-carbonitrile
PubChem CID18453339
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[[3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopentyl]methyl]pyrrole-2-carbonitrile
SMILESN#Cc1cccn1CC1CCC(NCC(=O)N2CCCC2C#N)C1
InChIInChI=1S/C18H23N5O/c19-10-16-3-1-7-22(16)13-14-5-6-15(9-14)21-12-18(24)23-8-2-4-17(23)11-20/h1,3,7,14-15,17,21H,2,4-6,8-9,12-13H2
InChIKeyMSXKKBCRWHYGSD-UHFFFAOYSA-N
XLogP1.63
TPSA84.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[2-[[(1R,3S)-3-(1,3-dihydroisoindol-2-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 11588381
1-[[(3R)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]imidazole-4,5-dicarbonitrile
CID 68830071
1-[2-[[3-(phenylsulfanylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 21109971
N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide
CID 11667534
(2S)-1-[2-[[3-[(4,5-diisocyanoimidazol-1-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 58845501
1-[[(1S,3R)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]-3-phenylurea
CID 11717646
molecular hydrogen;(2S)-1-[2-[[(1R,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile;hydrofluoride
CID 164588371
6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile
CID 69483338
N-[[(1R,3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 11655491
(2S)-1-[2-[[(1S,3R)-3-[[(5-isocyano-2-pyridinyl)amino]methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 58885101
N-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzenesulfonamide;hydrochloride
CID 70120599
(3aS,6aR)-5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 68627003

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopentyl]methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-[[3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopentyl]methyl]pyrrole-2-carbonitrile (CID 18453339) is 1-[[3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopentyl]methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-[[3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopentyl]methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-[[3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopentyl]methyl]pyrrole-2-carbonitrile is N#Cc1cccn1CC1CCC(NCC(=O)N2CCCC2C#N)C1.
What is the InChIKey of 1-[[3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopentyl]methyl]pyrrole-2-carbonitrile?
The InChIKey is MSXKKBCRWHYGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c19-10-16-3-1-7-22(16)13-14-5-6-15(9-14)21-12-18(24)23-8-2-4-17(23)11-20/h1,3,7,14-15,17,21H,2,4-6,8-9,12-13H2.
What are the key properties of 1-[[3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopentyl]methyl]pyrrole-2-carbonitrile?
1-[[3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopentyl]methyl]pyrrole-2-carbonitrile has a molecular weight of 325.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopentyl]methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 18453339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).