tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate

C17H21N3O2 — CID 113016500

IUPACtert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate
SMILESCN(c1ccccc1)c1ccc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)19-13-10-11-15(18-12-13)20(4)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,19,21)
InChIKeyGNEFVRVSQIJDLW-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.20
Rot. Bonds3

About tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate

tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate (PubChem CID 113016500) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate
PubChem CID113016500
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Nametert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate
SMILESCN(c1ccccc1)c1ccc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)19-13-10-11-15(18-12-13)20(4)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,19,21)
InChIKeyGNEFVRVSQIJDLW-UHFFFAOYSA-N
XLogP4.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate
CID 113012011
tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate
CID 113015728
N-[6-(N-methylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113016495
2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide
CID 113016501
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate
CID 123908026
tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
CID 174674918
tert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate
CID 46612138
(Z)-3-amino-2-[amino(methyl)amino]-3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]prop-2-enoic acid
CID 162377884
tert-butyl N-[4-[(N-phenylanilino)carbamoyl]phenyl]carbamate
CID 18283150
N-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113016484
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate (CID 113016500) is tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate is CN(c1ccccc1)c1ccc(NC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate?
The InChIKey is GNEFVRVSQIJDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)19-13-10-11-15(18-12-13)20(4)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate?
tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate has a molecular weight of 299.37 g/mol, XLogP of 4.20, 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-(N-methylanilino)-3-pyridinyl]carbamate is sourced from PubChem (CID 113016500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).