ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate

C18H23N3O4 — CID 113013912

IUPACethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCCc2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C18H23N3O4/c1-4-25-18(22)21-14-6-8-17(20-12-14)19-10-9-13-5-7-15(23-2)16(11-13)24-3/h5-8,11-12H,4,9-10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyQGKKLDJSKUJMSY-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.32
Rot. Bonds8

About ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate

ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate (PubChem CID 113013912) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate
PubChem CID113013912
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Nameethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCCc2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C18H23N3O4/c1-4-25-18(22)21-14-6-8-17(20-12-14)19-10-9-13-5-7-15(23-2)16(11-13)24-3/h5-8,11-12H,4,9-10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyQGKKLDJSKUJMSY-UHFFFAOYSA-N
XLogP3.32
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]carbamate
CID 113014023
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide
CID 113013902
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine
CID 82055041
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydrazinylpyridin-3-amine
CID 82055014
2-(3,4-dimethoxyphenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010361
N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113028985
ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate
CID 113010767
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide
CID 113043251
ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113019994
N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
CID 113013990
N-[6-(tert-butylamino)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113014809
N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113024001

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate (CID 113013912) is ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCCc2ccc(OC)c(OC)c2)nc1.
What is the InChIKey of ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate?
The InChIKey is QGKKLDJSKUJMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-4-25-18(22)21-14-6-8-17(20-12-14)19-10-9-13-5-7-15(23-2)16(11-13)24-3/h5-8,11-12H,4,9-10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate?
ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate has a molecular weight of 345.40 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 113013912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).