tert-butyl N-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamate

C17H19ClN2O3 — CID 91422151

IUPACtert-butyl N-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamate
SMILESCOc1ccccc1-c1cc(Cl)cc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C17H19ClN2O3/c1-17(2,3)23-16(21)20-15-10-11(18)9-13(19-15)12-7-5-6-8-14(12)22-4/h5-10H,1-4H3,(H,19,20,21)
InChIKeyWAUHBBORGQEXEI-UHFFFAOYSA-N
MW334.80 g/mol
LogP4.76
Rot. Bonds3

About tert-butyl N-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamate

tert-butyl N-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamate (PubChem CID 91422151) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is tert-butyl N-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamate
PubChem CID91422151
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Nametert-butyl N-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamate
SMILESCOc1ccccc1-c1cc(Cl)cc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C17H19ClN2O3/c1-17(2,3)23-16(21)20-15-10-11(18)9-13(19-15)12-7-5-6-8-14(12)22-4/h5-10H,1-4H3,(H,19,20,21)
InChIKeyWAUHBBORGQEXEI-UHFFFAOYSA-N
XLogP4.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-6-(2-methoxyphenyl)pyridine-2-carboxylate
CID 12784965
tert-butyl-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamic acid
CID 68955432
tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate
CID 144985934
4-chloro-6-(2-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 68953049
methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
CID 146241727
2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 28799604
tert-butyl N-[1-(2-methoxyphenyl)triazol-4-yl]carbamate
CID 139599995
tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate
CID 10760197
tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate
CID 118669396
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate
CID 10955644
tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate
CID 113019334

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamate (CID 91422151) is tert-butyl N-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamate is COc1ccccc1-c1cc(Cl)cc(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamate?
The InChIKey is WAUHBBORGQEXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-17(2,3)23-16(21)20-15-10-11(18)9-13(19-15)12-7-5-6-8-14(12)22-4/h5-10H,1-4H3,(H,19,20,21).
What are the key properties of tert-butyl N-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamate?
tert-butyl N-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamate has a molecular weight of 334.80 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 91422151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).