tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate

C17H27N3O2 — CID 113014947

IUPACtert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC2CCCCCC2)nc1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-14-10-11-15(18-12-14)19-13-8-6-4-5-7-9-13/h10-13H,4-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyMRPFLSKJZKMFPC-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.56
Rot. Bonds3

About tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate

tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate (PubChem CID 113014947) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
PubChem CID113014947
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC2CCCCCC2)nc1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-14-10-11-15(18-12-14)19-13-8-6-4-5-7-9-13/h10-13H,4-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyMRPFLSKJZKMFPC-UHFFFAOYSA-N
XLogP4.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
CID 107243151
tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate
CID 86775642
methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate
CID 113024495
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
N-[6-(cyclohexylamino)-3-pyridinyl]propanamide
CID 113010037
tert-butyl N-[5-[(1-methylpiperidin-3-yl)amino]-2-pyridinyl]carbamate
CID 107243155
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
N-[6-(cyclohexylamino)-3-pyridinyl]butanamide
CID 113010038
tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
CID 113018638
tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate
CID 107240278

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate (CID 113014947) is tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NC2CCCCCC2)nc1.
What is the InChIKey of tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate?
The InChIKey is MRPFLSKJZKMFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-14-10-11-15(18-12-14)19-13-8-6-4-5-7-9-13/h10-13H,4-9H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate?
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate is sourced from PubChem (CID 113014947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).