1-[2-[(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)amino]acetyl]pyrrolidine-2-carbonitrile

C17H21N5O — CID 143423556

IUPAC1-[2-[(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)amino]acetyl]pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1C(=O)CNC1C2CN(c3ccccn3)CC21
InChIInChI=1S/C17H21N5O/c18-8-12-4-3-7-22(12)16(23)9-20-17-13-10-21(11-14(13)17)15-5-1-2-6-19-15/h1-2,5-6,12-14,17,20H,3-4,7,9-11H2
InChIKeyNUJLKIGSYWNHHM-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.62
Rot. Bonds4

About 1-[2-[(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)amino]acetyl]pyrrolidine-2-carbonitrile

1-[2-[(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)amino]acetyl]pyrrolidine-2-carbonitrile (PubChem CID 143423556) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[2-[(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)amino]acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-[2-[(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)amino]acetyl]pyrrolidine-2-carbonitrile
PubChem CID143423556
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name1-[2-[(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)amino]acetyl]pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1C(=O)CNC1C2CN(c3ccccn3)CC21
InChIInChI=1S/C17H21N5O/c18-8-12-4-3-7-22(12)16(23)9-20-17-13-10-21(11-14(13)17)15-5-1-2-6-19-15/h1-2,5-6,12-14,17,20H,3-4,7,9-11H2
InChIKeyNUJLKIGSYWNHHM-UHFFFAOYSA-N
XLogP0.62
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)amino]acetyl]pyrrolidine-2-carbonitrile with MolForge

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Related Compounds

(4-chlorophenyl) 6-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 69232827
(2S)-1-(2-anilinoacetyl)pyrrolidine-2-carbonitrile
CID 71567750
N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]-2-[[3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide
CID 69136587
(2S)-1-[2-[(4-methyl-1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carbonitrile;dihydrochloride
CID 139987544
6-[(1S,5R)-6-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile
CID 44567747
6-[6-[[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carbonitrile
CID 69122171
(2S)-1-[2-[[4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 69157346
2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide
CID 69032484
N-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]benzenesulfonamide;hydrochloride
CID 70120599
(2S)-1-[2-[3-(2-phenyl-1H-imidazol-5-yl)propylamino]acetyl]pyrrolidine-2-carbonitrile
CID 66763331
(2S)-1-[2-[[(1R,3S)-3-(1,3-dihydroisoindol-2-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 11588381
(2S)-2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-[4-[4-(pyridin-2-ylamino)phenoxy]phenyl]propanoic acid
CID 25142081

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)amino]acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of 1-[2-[(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)amino]acetyl]pyrrolidine-2-carbonitrile (CID 143423556) is 1-[2-[(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)amino]acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-[2-[(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)amino]acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-[2-[(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)amino]acetyl]pyrrolidine-2-carbonitrile is N#CC1CCCN1C(=O)CNC1C2CN(c3ccccn3)CC21.
What is the InChIKey of 1-[2-[(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)amino]acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is NUJLKIGSYWNHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c18-8-12-4-3-7-22(12)16(23)9-20-17-13-10-21(11-14(13)17)15-5-1-2-6-19-15/h1-2,5-6,12-14,17,20H,3-4,7,9-11H2.
What are the key properties of 1-[2-[(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)amino]acetyl]pyrrolidine-2-carbonitrile?
1-[2-[(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)amino]acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 311.39 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)amino]acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 143423556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).