tert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate

C16H27N3O3 — CID 103936619

IUPACtert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate
SMILESCOCC(Nc1ccc(NC(=O)OC(C)(C)C)nc1)C(C)C
InChIInChI=1S/C16H27N3O3/c1-11(2)13(10-21-6)18-12-7-8-14(17-9-12)19-15(20)22-16(3,4)5/h7-9,11,13,18H,10H2,1-6H3,(H,17,19,20)
InChIKeyRKRHBEAGXGRCDA-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.51
Rot. Bonds6

About tert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate

tert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate (PubChem CID 103936619) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate
PubChem CID103936619
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Nametert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate
SMILESCOCC(Nc1ccc(NC(=O)OC(C)(C)C)nc1)C(C)C
InChIInChI=1S/C16H27N3O3/c1-11(2)13(10-21-6)18-12-7-8-14(17-9-12)19-15(20)22-16(3,4)5/h7-9,11,13,18H,10H2,1-6H3,(H,17,19,20)
InChIKeyRKRHBEAGXGRCDA-UHFFFAOYSA-N
XLogP3.51
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate
CID 103936121
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate
CID 107243083
tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate
CID 107243064
tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate
CID 103936587
tert-butyl N-[5-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-pyridinyl]carbamate
CID 107243135
tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288
tert-butyl N-[5-[(4,5-dibromofuran-2-yl)methylamino]-2-pyridinyl]carbamate
CID 107243072
tert-butyl N-[5-[(1-methylpiperidin-4-yl)methylamino]-2-pyridinyl]carbamate
CID 107243097
tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
CID 70798094
tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate
CID 103823822
tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate
CID 103823852
tert-butyl N-[5-[(2-aminophenyl)methylamino]-2-pyridinyl]carbamate
CID 107243153

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate (CID 103936619) is tert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate is COCC(Nc1ccc(NC(=O)OC(C)(C)C)nc1)C(C)C.
What is the InChIKey of tert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate?
The InChIKey is RKRHBEAGXGRCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-11(2)13(10-21-6)18-12-7-8-14(17-9-12)19-15(20)22-16(3,4)5/h7-9,11,13,18H,10H2,1-6H3,(H,17,19,20).
What are the key properties of tert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate?
tert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate has a molecular weight of 309.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate is sourced from PubChem (CID 103936619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).