tert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate

C16H27N3O3 — CID 107251140

IUPACtert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCc1nc(C)ccc1O
InChIInChI=1S/C16H27N3O3/c1-6-12(9-18-15(21)22-16(3,4)5)17-10-13-14(20)8-7-11(2)19-13/h7-8,12,17,20H,6,9-10H2,1-5H3,(H,18,21)
InChIKeySQSLYMVAGYTRQI-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.49
Rot. Bonds6

About tert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate

tert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate (PubChem CID 107251140) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate
PubChem CID107251140
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Nametert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCc1nc(C)ccc1O
InChIInChI=1S/C16H27N3O3/c1-6-12(9-18-15(21)22-16(3,4)5)17-10-13-14(20)8-7-11(2)19-13/h7-8,12,17,20H,6,9-10H2,1-5H3,(H,18,21)
InChIKeySQSLYMVAGYTRQI-UHFFFAOYSA-N
XLogP2.49
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[(3-fluoro-4-hydroxyphenyl)methylamino]butyl]carbamate
CID 107686110
2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol
CID 111449214
tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate
CID 107251255
tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate
CID 107251081
tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate
CID 107251304
tert-butyl N-[2-[(4-fluoro-3-methylphenyl)methylamino]butyl]carbamate
CID 107251345
tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate
CID 107251113
5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid
CID 107251206
2-[(3-ethylpentan-2-ylamino)methyl]-6-methylpyridin-3-ol
CID 78952615
tert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate
CID 104756511
tert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate
CID 107250820
6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol
CID 78928516

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate (CID 107251140) is tert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NCc1nc(C)ccc1O.
What is the InChIKey of tert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate?
The InChIKey is SQSLYMVAGYTRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-6-12(9-18-15(21)22-16(3,4)5)17-10-13-14(20)8-7-11(2)19-13/h7-8,12,17,20H,6,9-10H2,1-5H3,(H,18,21).
What are the key properties of tert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate?
tert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate has a molecular weight of 309.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate is sourced from PubChem (CID 107251140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).