tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate

C17H25N3O3 — CID 86277343

IUPACtert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccccn2)CC1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)20-13-9-7-12(8-10-13)19-15(21)14-6-4-5-11-18-14/h4-6,11-13H,7-10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyMJIKRONPCKWSIO-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.65
Rot. Bonds3

About tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate

tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate (PubChem CID 86277343) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
PubChem CID86277343
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Nametert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccccn2)CC1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)20-13-9-7-12(8-10-13)19-15(21)14-6-4-5-11-18-14/h4-6,11-13H,7-10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyMJIKRONPCKWSIO-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-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 22986749
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
CID 68885257
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
tert-butyl N-piperidin-4-ylcarbamate;pyridin-2-amine
CID 174858928
N-[1-(tert-butylcarbamoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110822407
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108562781
tert-butyl N-[4-[(3-methyl-2-pyridinyl)methylamino]cyclohexyl]carbamate
CID 58997040
tert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
CID 103719994
tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
CID 91059787

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate (CID 86277343) is tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccccn2)CC1.
What is the InChIKey of tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate?
The InChIKey is MJIKRONPCKWSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)20-13-9-7-12(8-10-13)19-15(21)14-6-4-5-11-18-14/h4-6,11-13H,7-10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate?
tert-butyl N-[4-(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-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate is sourced from PubChem (CID 86277343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).