tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate

C17H22N4O2 — CID 166911253

IUPACtert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(CNCc2ccccn2)n1
InChIInChI=1S/C17H22N4O2/c1-17(2,3)23-16(22)21-15-9-6-8-14(20-15)12-18-11-13-7-4-5-10-19-13/h4-10,18H,11-12H2,1-3H3,(H,20,21,22)
InChIKeyNDRINSHKPDEVBJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.11
Rot. Bonds5

About tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate

tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate (PubChem CID 166911253) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate
PubChem CID166911253
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Nametert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(CNCc2ccccn2)n1
InChIInChI=1S/C17H22N4O2/c1-17(2,3)23-16(22)21-15-9-6-8-14(20-15)12-18-11-13-7-4-5-10-19-13/h4-10,18H,11-12H2,1-3H3,(H,20,21,22)
InChIKeyNDRINSHKPDEVBJ-UHFFFAOYSA-N
XLogP3.11
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
tert-butyl N-[4-[(pyridin-2-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107256122
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276
tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
CID 142416682
tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate
CID 140879192
tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate
CID 58185123
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
tert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate
CID 173054324
tert-butyl N-[1-cyclopropyl-2-(pyridin-2-ylmethylamino)ethyl]carbamate
CID 103872270
methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate
CID 43730278
tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate
CID 67025080
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate (CID 166911253) is tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(CNCc2ccccn2)n1.
What is the InChIKey of tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate?
The InChIKey is NDRINSHKPDEVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-17(2,3)23-16(22)21-15-9-6-8-14(20-15)12-18-11-13-7-4-5-10-19-13/h4-10,18H,11-12H2,1-3H3,(H,20,21,22).
What are the key properties of tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate?
tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate has a molecular weight of 314.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 166911253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).