trans-(1S,2S)-2-[(6-cyanoquinolin-2-yl)amino]cyclopentane-1-carboxamide

C16H16N4O — CID 97158745

IUPACtrans-(1S,2S)-2-[(6-cyanoquinolin-2-yl)amino]cyclopentane-1-carboxamide
SMILESN#Cc1ccc2nc(N[C@H]3CCC[C@@H]3C(N)=O)ccc2c1
InChIInChI=1S/C16H16N4O/c17-9-10-4-6-13-11(8-10)5-7-15(19-13)20-14-3-1-2-12(14)16(18)21/h4-8,12,14H,1-3H2,(H2,18,21)(H,19,20)/t12-,14-/m0/s1
InChIKeyUNPLSCXEBTXXLP-JSGCOSHPSA-N
MW280.33 g/mol
LogP2.17
Rot. Bonds3

About trans-(1S,2S)-2-[(6-cyanoquinolin-2-yl)amino]cyclopentane-1-carboxamide

trans-(1S,2S)-2-[(6-cyanoquinolin-2-yl)amino]cyclopentane-1-carboxamide (PubChem CID 97158745) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(6-cyanoquinolin-2-yl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(6-cyanoquinolin-2-yl)amino]cyclopentane-1-carboxamide
PubChem CID97158745
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Nametrans-(1S,2S)-2-[(6-cyanoquinolin-2-yl)amino]cyclopentane-1-carboxamide
SMILESN#Cc1ccc2nc(N[C@H]3CCC[C@@H]3C(N)=O)ccc2c1
InChIInChI=1S/C16H16N4O/c17-9-10-4-6-13-11(8-10)5-7-15(19-13)20-14-3-1-2-12(14)16(18)21/h4-8,12,14H,1-3H2,(H2,18,21)(H,19,20)/t12-,14-/m0/s1
InChIKeyUNPLSCXEBTXXLP-JSGCOSHPSA-N
XLogP2.17
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyl-2-[benzylamino]quinoline-3-carbonitrile
CID 865538
3-(2-Aminoquinolin-3-Yl)-N-(Cyclohexylmethyl)propanamide
CID 53346495
N-(2-(dimethylamino)quinolin-4-yl)hexanamide
CID 2831764
N-[2-(3-Cyano-6,7-dimethyl-quinolin-2-ylamino)-ethyl]-propionamide
CID 3221712
N-cyclohexyl-5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanamide
CID 15005606
N-cyclopentyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
CID 15990875
N-[2-(3-Cyano-6-methyl-quinolin-2-ylamino)-ethyl]-benzamide
CID 24747058
3-[2-[4-[4-(2-Aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile
CID 127045323
N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]propanamide
CID 3221711
US12053473, Example I-375
CID 135176629
1-[2-(3-Cyano-8-methyl-quinolin-2-ylamino)-ethyl]-3-cyclohexyl-urea
CID 647846
N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide
CID 654217

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(6-cyanoquinolin-2-yl)amino]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-[(6-cyanoquinolin-2-yl)amino]cyclopentane-1-carboxamide (CID 97158745) is trans-(1S,2S)-2-[(6-cyanoquinolin-2-yl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-[(6-cyanoquinolin-2-yl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-[(6-cyanoquinolin-2-yl)amino]cyclopentane-1-carboxamide is N#Cc1ccc2nc(N[C@H]3CCC[C@@H]3C(N)=O)ccc2c1.
What is the InChIKey of trans-(1S,2S)-2-[(6-cyanoquinolin-2-yl)amino]cyclopentane-1-carboxamide?
The InChIKey is UNPLSCXEBTXXLP-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H16N4O/c17-9-10-4-6-13-11(8-10)5-7-15(19-13)20-14-3-1-2-12(14)16(18)21/h4-8,12,14H,1-3H2,(H2,18,21)(H,19,20)/t12-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(6-cyanoquinolin-2-yl)amino]cyclopentane-1-carboxamide?
trans-(1S,2S)-2-[(6-cyanoquinolin-2-yl)amino]cyclopentane-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(6-cyanoquinolin-2-yl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 97158745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).