tert-butyl N-[4-(4-chloro-2-methylphenyl)-3-ethenyl-2-pyridinyl]carbamate

C19H21ClN2O2 — CID 122696483

IUPACtert-butyl N-[4-(4-chloro-2-methylphenyl)-3-ethenyl-2-pyridinyl]carbamate
SMILESC=Cc1c(-c2ccc(Cl)cc2C)ccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H21ClN2O2/c1-6-14-16(15-8-7-13(20)11-12(15)2)9-10-21-17(14)22-18(23)24-19(3,4)5/h6-11H,1H2,2-5H3,(H,21,22,23)
InChIKeyWGERIRMPQCYDJW-UHFFFAOYSA-N
MW344.84 g/mol
LogP5.70
Rot. Bonds3

About tert-butyl N-[4-(4-chloro-2-methylphenyl)-3-ethenyl-2-pyridinyl]carbamate

tert-butyl N-[4-(4-chloro-2-methylphenyl)-3-ethenyl-2-pyridinyl]carbamate (PubChem CID 122696483) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is tert-butyl N-[4-(4-chloro-2-methylphenyl)-3-ethenyl-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-chloro-2-methylphenyl)-3-ethenyl-2-pyridinyl]carbamate
PubChem CID122696483
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Nametert-butyl N-[4-(4-chloro-2-methylphenyl)-3-ethenyl-2-pyridinyl]carbamate
SMILESC=Cc1c(-c2ccc(Cl)cc2C)ccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H21ClN2O2/c1-6-14-16(15-8-7-13(20)11-12(15)2)9-10-21-17(14)22-18(23)24-19(3,4)5/h6-11H,1H2,2-5H3,(H,21,22,23)
InChIKeyWGERIRMPQCYDJW-UHFFFAOYSA-N
XLogP5.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.84
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate
CID 46318089
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-(4-chloro-2-pyridinyl)carbamate;ethyl formate
CID 161046296
tert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate
CID 174161946
tert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate
CID 138106122
[(1R,2S)-1-(4-chloro-2-pyridinyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-en-2-yl] propanoate
CID 167015590
tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate
CID 102538020
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
4-[[6-(5-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-1-en-2-yl-4-pyridinyl]amino]-2-fluoropyridine-3-carboxylic acid
CID 122682401
[5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
CID 144745130
tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate
CID 20624434
tert-butyl N-[4-fluoro-3-[(3-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 107241015

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-chloro-2-methylphenyl)-3-ethenyl-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-chloro-2-methylphenyl)-3-ethenyl-2-pyridinyl]carbamate (CID 122696483) is tert-butyl N-[4-(4-chloro-2-methylphenyl)-3-ethenyl-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-chloro-2-methylphenyl)-3-ethenyl-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-chloro-2-methylphenyl)-3-ethenyl-2-pyridinyl]carbamate is C=Cc1c(-c2ccc(Cl)cc2C)ccnc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(4-chloro-2-methylphenyl)-3-ethenyl-2-pyridinyl]carbamate?
The InChIKey is WGERIRMPQCYDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-6-14-16(15-8-7-13(20)11-12(15)2)9-10-21-17(14)22-18(23)24-19(3,4)5/h6-11H,1H2,2-5H3,(H,21,22,23).
What are the key properties of tert-butyl N-[4-(4-chloro-2-methylphenyl)-3-ethenyl-2-pyridinyl]carbamate?
tert-butyl N-[4-(4-chloro-2-methylphenyl)-3-ethenyl-2-pyridinyl]carbamate has a molecular weight of 344.84 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-chloro-2-methylphenyl)-3-ethenyl-2-pyridinyl]carbamate is sourced from PubChem (CID 122696483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).