[(1R,2R)-2-(pyridin-2-ylamino)cyclohexyl] carbamate

C12H17N3O2 — CID 175008602

IUPAC[(1R,2R)-2-(pyridin-2-ylamino)cyclohexyl] carbamate
SMILESNC(=O)O[C@@H]1CCCC[C@H]1Nc1ccccn1
InChIInChI=1S/C12H17N3O2/c13-12(16)17-10-6-2-1-5-9(10)15-11-7-3-4-8-14-11/h3-4,7-10H,1-2,5-6H2,(H2,13,16)(H,14,15)/t9-,10-/m1/s1
InChIKeyYITGVMPVKBJIFE-NXEZZACHSA-N
MW235.29 g/mol
LogP1.90
Rot. Bonds3

About [(1R,2R)-2-(pyridin-2-ylamino)cyclohexyl] carbamate

[(1R,2R)-2-(pyridin-2-ylamino)cyclohexyl] carbamate (PubChem CID 175008602) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [(1R,2R)-2-(pyridin-2-ylamino)cyclohexyl] carbamate.

Molecular Properties

Compound Name[(1R,2R)-2-(pyridin-2-ylamino)cyclohexyl] carbamate
PubChem CID175008602
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[(1R,2R)-2-(pyridin-2-ylamino)cyclohexyl] carbamate
SMILESNC(=O)O[C@@H]1CCCC[C@H]1Nc1ccccn1
InChIInChI=1S/C12H17N3O2/c13-12(16)17-10-6-2-1-5-9(10)15-11-7-3-4-8-14-11/h3-4,7-10H,1-2,5-6H2,(H2,13,16)(H,14,15)/t9-,10-/m1/s1
InChIKeyYITGVMPVKBJIFE-NXEZZACHSA-N
XLogP1.90
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(pyridin-2-ylamino)cyclohexyl]methanol
CID 106362177
N-(2-methylcyclohexyl)pyridin-2-amine
CID 43079705
N-cyclohexylpyridin-2-amine;methanamine
CID 143850003
cyclohexyl N-pyridin-2-ylcarbamate
CID 127539206
1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea
CID 51105726
N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide
CID 108524992
N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide
CID 55152154
[(1R,2R)-2-(pyridin-2-ylamino)cyclopropyl]methanol
CID 130621194
[(1S,2S)-2-anilinocyclohexyl] N,N-dimethylcarbamate;hydrochloride
CID 73212566
1-carbamoyl-3-pyridin-2-ylurea
CID 564989
cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 756841
N-[4-(pyridin-2-ylamino)cyclohexyl]cyclopropanecarboxamide
CID 166194505

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(pyridin-2-ylamino)cyclohexyl] carbamate?
The IUPAC name of [(1R,2R)-2-(pyridin-2-ylamino)cyclohexyl] carbamate (CID 175008602) is [(1R,2R)-2-(pyridin-2-ylamino)cyclohexyl] carbamate.
What is the SMILES notation for [(1R,2R)-2-(pyridin-2-ylamino)cyclohexyl] carbamate?
The canonical SMILES for [(1R,2R)-2-(pyridin-2-ylamino)cyclohexyl] carbamate is NC(=O)O[C@@H]1CCCC[C@H]1Nc1ccccn1.
What is the InChIKey of [(1R,2R)-2-(pyridin-2-ylamino)cyclohexyl] carbamate?
The InChIKey is YITGVMPVKBJIFE-NXEZZACHSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-12(16)17-10-6-2-1-5-9(10)15-11-7-3-4-8-14-11/h3-4,7-10H,1-2,5-6H2,(H2,13,16)(H,14,15)/t9-,10-/m1/s1.
What are the key properties of [(1R,2R)-2-(pyridin-2-ylamino)cyclohexyl] carbamate?
[(1R,2R)-2-(pyridin-2-ylamino)cyclohexyl] carbamate has a molecular weight of 235.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(pyridin-2-ylamino)cyclohexyl] carbamate is sourced from PubChem (CID 175008602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).