tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate

C16H25N3O2 — CID 113015925

IUPACtert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)18-13-8-9-14(17-12-13)19-10-6-4-5-7-11-19/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,20)
InChIKeyMLAXMZCEBNKGLN-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.81
Rot. Bonds2

About tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate

tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate (PubChem CID 113015925) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate
PubChem CID113015925
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nametert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)18-13-8-9-14(17-12-13)19-10-6-4-5-7-11-19/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,20)
InChIKeyMLAXMZCEBNKGLN-UHFFFAOYSA-N
XLogP3.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(6-piperidin-1-yl-3-pyridinyl)amino]carbamate
CID 151643186
N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113015875
tert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate
CID 167726379
tert-butyl 4-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]piperazine-1-carboxylate
CID 47040321
ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583
3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 63679043
2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid
CID 65302404
(2R)-2-amino-3,3-dimethyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 103928716
(2R)-2-amino-3,3-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 103928713
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
tert-butyl N-[3-cyano-5-(6-piperidin-1-yl-3-pyridinyl)thiophen-2-yl]carbamate
CID 70842611

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate (CID 113015925) is tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(N2CCCCCC2)nc1.
What is the InChIKey of tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate?
The InChIKey is MLAXMZCEBNKGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)18-13-8-9-14(17-12-13)19-10-6-4-5-7-11-19/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate?
tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate has a molecular weight of 291.40 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 113015925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).