tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate

C17H27N3O4 — CID 140879192

IUPACtert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cccc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C17H27N3O4/c1-16(2,3)23-14(21)18-11-10-12-8-7-9-13(19-12)20-15(22)24-17(4,5)6/h7-9H,10-11H2,1-6H3,(H,18,21)(H,19,20,22)
InChIKeyMJRWWVKKKDGIDG-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.50
Rot. Bonds4

About tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate

tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate (PubChem CID 140879192) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate
PubChem CID140879192
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Nametert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cccc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C17H27N3O4/c1-16(2,3)23-14(21)18-11-10-12-8-7-9-13(19-12)20-15(22)24-17(4,5)6/h7-9H,10-11H2,1-6H3,(H,18,21)(H,19,20,22)
InChIKeyMJRWWVKKKDGIDG-UHFFFAOYSA-N
XLogP3.50
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276
tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate
CID 166911253
tert-butyl N-[3-(6-bromo-2-pyridinyl)propyl]carbamate
CID 125470334
3-methylpentan-3-yl N-[6-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-pyridinyl]carbamate
CID 90690209
tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate
CID 67025080
methyl 3,3-dimethyl-4-[4-[2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]ethoxy]phenyl]butanoate
CID 12018747
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 19349079
tert-butyl N-[2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethyl]carbamate
CID 46941832
tert-butyl N-[6-[[2-(2-aminoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl]-2-pyridinyl]carbamate
CID 59857996
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate
CID 175684385

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate (CID 140879192) is tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate is CC(C)(C)OC(=O)NCCc1cccc(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate?
The InChIKey is MJRWWVKKKDGIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-16(2,3)23-14(21)18-11-10-12-8-7-9-13(19-12)20-15(22)24-17(4,5)6/h7-9H,10-11H2,1-6H3,(H,18,21)(H,19,20,22).
What are the key properties of tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate?
tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate has a molecular weight of 337.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 140879192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).