tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate

C18H23N3O2 — CID 113017105

IUPACtert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate
SMILESCc1cc(C)cc(Nc2ccc(NC(=O)OC(C)(C)C)cn2)c1
InChIInChI=1S/C18H23N3O2/c1-12-8-13(2)10-15(9-12)20-16-7-6-14(11-19-16)21-17(22)23-18(3,4)5/h6-11H,1-5H3,(H,19,20)(H,21,22)
InChIKeyHTNLVTKOIRDGAH-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.79
Rot. Bonds3

About tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate

tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate (PubChem CID 113017105) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate
PubChem CID113017105
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nametert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate
SMILESCc1cc(C)cc(Nc2ccc(NC(=O)OC(C)(C)C)cn2)c1
InChIInChI=1S/C18H23N3O2/c1-12-8-13(2)10-15(9-12)20-16-7-6-14(11-19-16)21-17(22)23-18(3,4)5/h6-11H,1-5H3,(H,19,20)(H,21,22)
InChIKeyHTNLVTKOIRDGAH-UHFFFAOYSA-N
XLogP4.79
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
CID 113018638
tert-butyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 113016805
tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate
CID 113017853
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate
CID 113019334
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017060
tert-butyl N-[5-(4-bromo-3-methylanilino)-2-pyridinyl]carbamate
CID 113036118
tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate
CID 113032056
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
1-[6-(3,5-dimethylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113017108
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate
CID 113021092

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate (CID 113017105) is tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate is Cc1cc(C)cc(Nc2ccc(NC(=O)OC(C)(C)C)cn2)c1.
What is the InChIKey of tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate?
The InChIKey is HTNLVTKOIRDGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-8-13(2)10-15(9-12)20-16-7-6-14(11-19-16)21-17(22)23-18(3,4)5/h6-11H,1-5H3,(H,19,20)(H,21,22).
What are the key properties of tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate?
tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate has a molecular weight of 313.40 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate is sourced from PubChem (CID 113017105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).