tert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate

C25H37N5O4 — CID 58230679

IUPACtert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cccc(CCN(C(=O)OC(C)(C)C)c2cccc(CCN)n2)n1
InChIInChI=1S/C25H37N5O4/c1-24(2,3)33-22(31)29(7)20-12-8-11-19(27-20)15-17-30(23(32)34-25(4,5)6)21-13-9-10-18(28-21)14-16-26/h8-13H,14-17,26H2,1-7H3
InChIKeyHAJJXGUFUPRFRE-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.33
Rot. Bonds7

About tert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate

tert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate (PubChem CID 58230679) has the molecular formula C25H37N5O4 and a molecular weight of 471.60 g/mol. Its IUPAC name is tert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate
PubChem CID58230679
Molecular FormulaC25H37N5O4
Molecular Weight471.60 g/mol
Exact Mass471.28
IUPAC Nametert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cccc(CCN(C(=O)OC(C)(C)C)c2cccc(CCN)n2)n1
InChIInChI=1S/C25H37N5O4/c1-24(2,3)33-22(31)29(7)20-12-8-11-19(27-20)15-17-30(23(32)34-25(4,5)6)21-13-9-10-18(28-21)14-16-26/h8-13H,14-17,26H2,1-7H3
InChIKeyHAJJXGUFUPRFRE-UHFFFAOYSA-N
XLogP4.33
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate
CID 58695834
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate
CID 58230695
tert-butyl N-[6-(2-azidoethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate
CID 58230701
tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate
CID 101072166
tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate
CID 83717032
4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid
CID 90994258
tert-butyl N-[6-(bromomethyl)-2-pyridinyl]-N-(2-hydroxyacetyl)carbamate
CID 89367852
tert-butyl N-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)ethyl]carbamate
CID 170324871
tert-butyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[3-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]propyl]thiophen-2-yl]propanoate
CID 68900258
tert-butyl 2-[[6-[[(4-tert-butylphenyl)methylamino]methyl]-2-pyridinyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 86672304
N-(6-ethyl-2-pyridinyl)-N-methylacetamide
CID 138536705
tert-butyl N-[2-[(6-cyano-2-pyridinyl)-methylamino]ethyl]-N-methylcarbamate
CID 86814417

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate (CID 58230679) is tert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate is CN(C(=O)OC(C)(C)C)c1cccc(CCN(C(=O)OC(C)(C)C)c2cccc(CCN)n2)n1.
What is the InChIKey of tert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate?
The InChIKey is HAJJXGUFUPRFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O4/c1-24(2,3)33-22(31)29(7)20-12-8-11-19(27-20)15-17-30(23(32)34-25(4,5)6)21-13-9-10-18(28-21)14-16-26/h8-13H,14-17,26H2,1-7H3.
What are the key properties of tert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate?
tert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate has a molecular weight of 471.60 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate is sourced from PubChem (CID 58230679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).