tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate

C16H18ClN3O2 — CID 113018638

IUPACtert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H18ClN3O2/c1-16(2,3)22-15(21)20-13-8-9-14(18-10-13)19-12-6-4-11(17)5-7-12/h4-10H,1-3H3,(H,18,19)(H,20,21)
InChIKeyUWEMWNIGMXPFAR-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.83
Rot. Bonds3

About tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate

tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate (PubChem CID 113018638) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
PubChem CID113018638
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Nametert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H18ClN3O2/c1-16(2,3)22-15(21)20-13-8-9-14(18-10-13)19-12-6-4-11(17)5-7-12/h4-10H,1-3H3,(H,18,19)(H,20,21)
InChIKeyUWEMWNIGMXPFAR-UHFFFAOYSA-N
XLogP4.83
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate
CID 113017853
tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate
CID 113017105
tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate
CID 113019334
tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate
CID 113021092
tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
CID 138469738
methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019008
tert-butyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 113016805
tert-butyl N-[5-(3-chloroanilino)-2-pyridinyl]carbamate
CID 113033323
tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012243
tert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate
CID 167156948
methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012316
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate (CID 113018638) is tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(Nc2ccc(Cl)cc2)nc1.
What is the InChIKey of tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate?
The InChIKey is UWEMWNIGMXPFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-16(2,3)22-15(21)20-13-8-9-14(18-10-13)19-12-6-4-11(17)5-7-12/h4-10H,1-3H3,(H,18,19)(H,20,21).
What are the key properties of tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate?
tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate has a molecular weight of 319.79 g/mol, XLogP of 4.83, 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-(4-chloroanilino)-3-pyridinyl]carbamate is sourced from PubChem (CID 113018638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).