ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate

C16H18ClN3O3 — CID 113022533

IUPACethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2cc(C)c(Cl)cc2OC)nc1
InChIInChI=1S/C16H18ClN3O3/c1-4-23-16(21)19-11-5-6-15(18-9-11)20-13-7-10(2)12(17)8-14(13)22-3/h5-9H,4H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyKZLWIELVNKNDPW-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.36
Rot. Bonds5

About ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate

ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate (PubChem CID 113022533) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate
PubChem CID113022533
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Nameethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2cc(C)c(Cl)cc2OC)nc1
InChIInChI=1S/C16H18ClN3O3/c1-4-23-16(21)19-11-5-6-15(18-9-11)20-13-7-10(2)12(17)8-14(13)22-3/h5-9H,4H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyKZLWIELVNKNDPW-UHFFFAOYSA-N
XLogP4.36
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113019994
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113022464
ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 110178980
methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020643
ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020838
6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide
CID 109162131
ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019009
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109164004
5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine
CID 63463007
1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea
CID 113036939
ethyl N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]carbamate
CID 113034657
1-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113022483

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate (CID 113022533) is ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(Nc2cc(C)c(Cl)cc2OC)nc1.
What is the InChIKey of ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate?
The InChIKey is KZLWIELVNKNDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-4-23-16(21)19-11-5-6-15(18-9-11)20-13-7-10(2)12(17)8-14(13)22-3/h5-9H,4H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate?
ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate has a molecular weight of 335.79 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate is sourced from PubChem (CID 113022533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).