[(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid

C13H16N4O2 — CID 174225540

IUPAC[(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid
SMILESN#Cc1cc(N[C@H]2CCC[C@@H](NC(=O)O)C2)ccn1
InChIInChI=1S/C13H16N4O2/c14-8-12-7-11(4-5-15-12)16-9-2-1-3-10(6-9)17-13(18)19/h4-5,7,9-10,17H,1-3,6H2,(H,15,16)(H,18,19)/t9-,10+/m0/s1
InChIKeyXBGLNFRXBRYTAR-VHSXEESVSA-N
MW260.30 g/mol
LogP1.94
Rot. Bonds3

About [(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid

[(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid (PubChem CID 174225540) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is [(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid
PubChem CID174225540
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name[(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid
SMILESN#Cc1cc(N[C@H]2CCC[C@@H](NC(=O)O)C2)ccn1
InChIInChI=1S/C13H16N4O2/c14-8-12-7-11(4-5-15-12)16-9-2-1-3-10(6-9)17-13(18)19/h4-5,7,9-10,17H,1-3,6H2,(H,15,16)(H,18,19)/t9-,10+/m0/s1
InChIKeyXBGLNFRXBRYTAR-VHSXEESVSA-N
XLogP1.94
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid 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-Cyclohexyl-N'-(4-pyridyl)urea
CID 4580695
2-Pyridinecarboxaldehyde, O-(cyclohexylcarbamoyl)oxime
CID 9562664
tert-butyl N-(2-methylpyridin-4-yl)carbamate
CID 66524347
tert-butyl N-[1-cyano-2-(pyridin-2-yl)ethyl]carbamate
CID 155978089
methyl (3S)-3-[(6-cyano-3-pyridinyl)amino]piperidine-1-carboxylate
CID 99848347
3-[(2-cyano-4-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 114167378
[1-[2-(Trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid
CID 67341843
[(3R,4R)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamic acid
CID 68156296
[(3S,4S)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamic acid
CID 68156317
[(3S,5S)-1-(3-amino-4-pyridinyl)-5-fluoropiperidin-3-yl]carbamic acid
CID 68156452
[1-(3-Amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamic acid
CID 68560420
[2-(Trifluoromethyl)-4-pyridinyl]carbamic acid
CID 68715286

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid?
The IUPAC name of [(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid (CID 174225540) is [(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid?
The canonical SMILES for [(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid is N#Cc1cc(N[C@H]2CCC[C@@H](NC(=O)O)C2)ccn1.
What is the InChIKey of [(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid?
The InChIKey is XBGLNFRXBRYTAR-VHSXEESVSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-8-12-7-11(4-5-15-12)16-9-2-1-3-10(6-9)17-13(18)19/h4-5,7,9-10,17H,1-3,6H2,(H,15,16)(H,18,19)/t9-,10+/m0/s1.
What are the key properties of [(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid?
[(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid has a molecular weight of 260.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 174225540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).