tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate

C17H25N3O3 — CID 22986749

IUPACtert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCC1NC(=O)c1ccccn1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)20-13-9-5-4-8-12(13)19-15(21)14-10-6-7-11-18-14/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyLANXMHXAXZOTKJ-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.65
Rot. Bonds3

About tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate

tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate (PubChem CID 22986749) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate
PubChem CID22986749
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Nametert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCC1NC(=O)c1ccccn1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)20-13-9-5-4-8-12(13)19-15(21)14-10-6-7-11-18-14/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyLANXMHXAXZOTKJ-UHFFFAOYSA-N
XLogP2.65
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 86277343
tert-butyl N-[(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexyl]carbamate
CID 68899041
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide
CID 11919862
tert-butyl N-[(1R,2R)-2-(2-aminoanilino)cyclohexyl]carbamate
CID 134843665
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
tert-butyl N-[(1S,2R)-2-[(1-pyridin-2-ylpyrazol-4-yl)amino]cyclopentyl]carbamate
CID 99855500
N-[(1S,2S)-2-diphenoxyphosphorylcyclohexyl]pyridine-2-carboxamide
CID 102579935
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
tert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate
CID 175178885
1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea
CID 8656598

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate (CID 22986749) is tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCCCC1NC(=O)c1ccccn1.
What is the InChIKey of tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate?
The InChIKey is LANXMHXAXZOTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)20-13-9-5-4-8-12(13)19-15(21)14-10-6-7-11-18-14/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate?
tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate has a molecular weight of 319.40 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate is sourced from PubChem (CID 22986749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).