tert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate

C19H23N3O3 — CID 171471952

IUPACtert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)ccc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13-15(17(23)22(5)14-9-7-6-8-10-14)11-12-16(20-13)21-18(24)25-19(2,3)4/h6-12H,1-5H3,(H,20,21,24)
InChIKeyINRIKJMXDZECPJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.01
Rot. Bonds3

About tert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate

tert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate (PubChem CID 171471952) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is tert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate
PubChem CID171471952
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nametert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)ccc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13-15(17(23)22(5)14-9-7-6-8-10-14)11-12-16(20-13)21-18(24)25-19(2,3)4/h6-12H,1-5H3,(H,20,21,24)
InChIKeyINRIKJMXDZECPJ-UHFFFAOYSA-N
XLogP4.01
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate
CID 19358376
tert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate
CID 46612138
tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate
CID 10681361
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276
2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid
CID 90422775
methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 103879996
N,2-dimethyl-N-phenyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 39428121
tert-butyl N-[5-[(3-hydrazinyl-6-methyl-2-oxopyrazin-1-yl)methylcarbamoyl]-6-methyl-2-pyridinyl]carbamate
CID 11292589
tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate
CID 123779338
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 46543957
tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate
CID 113016500
tert-butyl N-(4-acetylquinolin-2-yl)carbamate
CID 118689136

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate (CID 171471952) is tert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate is Cc1nc(NC(=O)OC(C)(C)C)ccc1C(=O)N(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate?
The InChIKey is INRIKJMXDZECPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-15(17(23)22(5)14-9-7-6-8-10-14)11-12-16(20-13)21-18(24)25-19(2,3)4/h6-12H,1-5H3,(H,20,21,24).
What are the key properties of tert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate?
tert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate has a molecular weight of 341.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 171471952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).