tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate

C18H23N3O2 — CID 113032056

IUPACtert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate
SMILESCc1ccc(C)c(Nc2ccc(NC(=O)OC(C)(C)C)nc2)c1
InChIInChI=1S/C18H23N3O2/c1-12-6-7-13(2)15(10-12)20-14-8-9-16(19-11-14)21-17(22)23-18(3,4)5/h6-11,20H,1-5H3,(H,19,21,22)
InChIKeyIDSXZAXQSOZSPF-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.79
Rot. Bonds3

About tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate

tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate (PubChem CID 113032056) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate
PubChem CID113032056
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nametert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate
SMILESCc1ccc(C)c(Nc2ccc(NC(=O)OC(C)(C)C)nc2)c1
InChIInChI=1S/C18H23N3O2/c1-12-6-7-13(2)15(10-12)20-14-8-9-16(19-11-14)21-17(22)23-18(3,4)5/h6-11,20H,1-5H3,(H,19,21,22)
InChIKeyIDSXZAXQSOZSPF-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-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 113016805
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-[5-(4-bromo-3-methylanilino)-2-pyridinyl]carbamate
CID 113036118
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]benzoate
CID 113035292
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032033
tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
CID 113035163
tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate
CID 113017105
methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate
CID 113031352
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3-phenoxypropanamide
CID 113032043
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113032048
tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate
CID 113035609
tert-butyl N-[5-(3-chloroanilino)-2-pyridinyl]carbamate
CID 113033323

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate (CID 113032056) is tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate is Cc1ccc(C)c(Nc2ccc(NC(=O)OC(C)(C)C)nc2)c1.
What is the InChIKey of tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate?
The InChIKey is IDSXZAXQSOZSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-6-7-13(2)15(10-12)20-14-8-9-16(19-11-14)21-17(22)23-18(3,4)5/h6-11,20H,1-5H3,(H,19,21,22).
What are the key properties of tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate?
tert-butyl N-[5-(2,5-dimethylanilino)-2-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-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate is sourced from PubChem (CID 113032056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).