N-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]pyrrolidine-2-carboxamide

C23H32N4O3 — CID 118066004

IUPACN-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESN#CC1CC2CC2N1C(=O)C(NC(=O)C1CCCN1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C23H32N4O3/c24-11-16-5-15-6-18(15)27(16)21(29)19(26-20(28)17-2-1-3-25-17)22-7-13-4-14(8-22)10-23(30,9-13)12-22/h13-19,25,30H,1-10,12H2,(H,26,28)
InChIKeyUKJHPNKVKKCMQM-UHFFFAOYSA-N
MW412.53 g/mol
LogP1.07
Rot. Bonds4

About N-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]pyrrolidine-2-carboxamide

N-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 118066004) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID118066004
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESN#CC1CC2CC2N1C(=O)C(NC(=O)C1CCCN1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C23H32N4O3/c24-11-16-5-15-6-18(15)27(16)21(29)19(26-20(28)17-2-1-3-25-17)22-7-13-4-14(8-22)10-23(30,9-13)12-22/h13-19,25,30H,1-10,12H2,(H,26,28)
InChIKeyUKJHPNKVKKCMQM-UHFFFAOYSA-N
XLogP1.07
TPSA105.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(5S,7R)-3-hydroxy-1-adamantyl]-2-oxoethyl]formamide
CID 169440760
(3S,5S)-2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 90287705
(1S,3S,5S)-2-[(2S)-2-amino-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;dihydrate;hydrochloride
CID 56953550
(1S,3S,5S)-2-[(2R)-2-(3-hydroxy-1-adamantyl)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 70938221
(1S,3S,5S)-2-[(2S)-2-amino-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 91758768
[(1S)-2-(2-cyanopiperidin-1-yl)-1-[(5S,7R)-3-hydroxy-1-adamantyl]-2-oxoethyl]carbamic acid
CID 174233259
(1S,3S,5S)-2-[(2S)-2-amino-2-[(3R,5S)-3,5-dihydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 11751171
(1S,3S,5S)-2-[(2R)-2-amino-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]-6,6-difluoro-2-azabicyclo[3.2.0]heptane-3-carbonitrile
CID 24766013
[3-[1-amino-2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-2-oxoethyl]-1-adamantyl] 2-(methylamino)-2-[1-(methylamino)cyclopropyl]acetate
CID 123936414
(3S)-2-[(2S)-2-[(7R)-3-hydroxy-1-adamantyl]-2-(quinolin-2-ylamino)acetyl]-2-azabicyclo[3.1.1]heptane-3-carbonitrile
CID 163871681
[3-[(1S)-1-amino-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-1-adamantyl] 2-methyl-2-pyrrolidin-1-ylpropanoate
CID 76684992
2-[2-amino-2-(3-hydroxy-1-tricyclo[3.1.1.03,6]heptanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 144800733

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 118066004) is N-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]pyrrolidine-2-carboxamide is N#CC1CC2CC2N1C(=O)C(NC(=O)C1CCCN1)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of N-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is UKJHPNKVKKCMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c24-11-16-5-15-6-18(15)27(16)21(29)19(26-20(28)17-2-1-3-25-17)22-7-13-4-14(8-22)10-23(30,9-13)12-22/h13-19,25,30H,1-10,12H2,(H,26,28).
What are the key properties of N-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]pyrrolidine-2-carboxamide?
N-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118066004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).