tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate

C16H26N4O2 — CID 86775642

IUPACtert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC2CCCNCC2)cn1
InChIInChI=1S/C16H26N4O2/c1-16(2,3)22-15(21)20-14-7-6-13(11-18-14)19-12-5-4-9-17-10-8-12/h6-7,11-12,17,19H,4-5,8-10H2,1-3H3,(H,18,20,21)
InChIKeyRZVTXSHHLKXOPS-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.98
Rot. Bonds3

About tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate

tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate (PubChem CID 86775642) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate
PubChem CID86775642
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Nametert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC2CCCNCC2)cn1
InChIInChI=1S/C16H26N4O2/c1-16(2,3)22-15(21)20-14-7-6-13(11-18-14)19-12-5-4-9-17-10-8-12/h6-7,11-12,17,19H,4-5,8-10H2,1-3H3,(H,18,20,21)
InChIKeyRZVTXSHHLKXOPS-UHFFFAOYSA-N
XLogP2.98
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
CID 107243151
tert-butyl N-[5-(piperidin-3-ylmethylamino)-2-pyridinyl]carbamate
CID 107243062
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate
CID 113024495
tert-butyl N-[5-[(1-methylpiperidin-3-yl)amino]-2-pyridinyl]carbamate
CID 107243155
tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate
CID 68961364
tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
CID 107243179
tert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate
CID 103933766
tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate
CID 114238920
tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate
CID 113354957
tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate
CID 107240213
tert-butyl N-[5-[(1-methylpiperidin-4-yl)methylamino]-2-pyridinyl]carbamate
CID 107243097

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate (CID 86775642) is tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NC2CCCNCC2)cn1.
What is the InChIKey of tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate?
The InChIKey is RZVTXSHHLKXOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-16(2,3)22-15(21)20-14-7-6-13(11-18-14)19-12-5-4-9-17-10-8-12/h6-7,11-12,17,19H,4-5,8-10H2,1-3H3,(H,18,20,21).
What are the key properties of tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate?
tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate is sourced from PubChem (CID 86775642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).