tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate

C18H23N3O2 — CID 113012011

IUPACtert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate
SMILESCN(Cc1ccccc1)c1ccc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C18H23N3O2/c1-18(2,3)23-17(22)20-15-10-11-16(19-12-15)21(4)13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3,(H,20,22)
InChIKeyYFPOCJMDYPOUOA-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.07
Rot. Bonds4

About tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate

tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate (PubChem CID 113012011) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate
PubChem CID113012011
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nametert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate
SMILESCN(Cc1ccccc1)c1ccc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C18H23N3O2/c1-18(2,3)23-17(22)20-15-10-11-16(19-12-15)21(4)13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3,(H,20,22)
InChIKeyYFPOCJMDYPOUOA-UHFFFAOYSA-N
XLogP4.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate
CID 113016500
N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide
CID 113011952
N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113011998
tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate
CID 113015728
N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113011981
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate
CID 123908026
3-[methyl-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]amino]propanoic acid
CID 170914560
tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
CID 174674918
tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate
CID 166524697
6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109156294
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
CID 113014989

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate (CID 113012011) is tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate is CN(Cc1ccccc1)c1ccc(NC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate?
The InChIKey is YFPOCJMDYPOUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-18(2,3)23-17(22)20-15-10-11-16(19-12-15)21(4)13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate?
tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate has a molecular weight of 313.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate is sourced from PubChem (CID 113012011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).