ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate

C16H19N3O4 — CID 113019994

IUPACethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2cc(OC)ccc2OC)nc1
InChIInChI=1S/C16H19N3O4/c1-4-23-16(20)18-11-5-8-15(17-10-11)19-13-9-12(21-2)6-7-14(13)22-3/h5-10H,4H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyKHRIAWGVNSUSKS-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.41
Rot. Bonds6

About ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate

ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate (PubChem CID 113019994) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate
PubChem CID113019994
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Nameethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2cc(OC)ccc2OC)nc1
InChIInChI=1S/C16H19N3O4/c1-4-23-16(20)18-11-5-8-15(17-10-11)19-13-9-12(21-2)6-7-14(13)22-3/h5-10H,4H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyKHRIAWGVNSUSKS-UHFFFAOYSA-N
XLogP3.41
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]carbamate
CID 113034657
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide
CID 113019957
ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate
CID 113022533
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113019975
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034610
methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020643
ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 110178980
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113019982
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113020010
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113020002
ethyl N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]carbamate
CID 113014023
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034626

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate (CID 113019994) is ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(Nc2cc(OC)ccc2OC)nc1.
What is the InChIKey of ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate?
The InChIKey is KHRIAWGVNSUSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-4-23-16(20)18-11-5-8-15(17-10-11)19-13-9-12(21-2)6-7-14(13)22-3/h5-10H,4H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate?
ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate has a molecular weight of 317.35 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate is sourced from PubChem (CID 113019994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).