ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate

C17H19N3O5 — CID 110176757

IUPACethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Oc2ccc(NC(=O)OCC)cn2)cc1
InChIInChI=1S/C17H19N3O5/c1-3-23-16(21)19-12-5-8-14(9-6-12)25-15-10-7-13(11-18-15)20-17(22)24-4-2/h5-11H,3-4H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyAVBLQUCLLJDTIX-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.01
Rot. Bonds6

About ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate

ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate (PubChem CID 110176757) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
PubChem CID110176757
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Nameethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Oc2ccc(NC(=O)OCC)cn2)cc1
InChIInChI=1S/C17H19N3O5/c1-3-23-16(21)19-12-5-8-14(9-6-12)25-15-10-7-13(11-18-15)20-17(22)24-4-2/h5-11H,3-4H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyAVBLQUCLLJDTIX-UHFFFAOYSA-N
XLogP4.01
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194101
4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119852380
ethyl N-[4-(methoxymethoxy)phenyl]carbamate
CID 19896200
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide
CID 119849108
ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate
CID 115268615
ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate
CID 9210948
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide
CID 71994232

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate (CID 110176757) is ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(Oc2ccc(NC(=O)OCC)cn2)cc1.
What is the InChIKey of ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate?
The InChIKey is AVBLQUCLLJDTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-3-23-16(21)19-12-5-8-14(9-6-12)25-15-10-7-13(11-18-15)20-17(22)24-4-2/h5-11H,3-4H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate?
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate has a molecular weight of 345.36 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate is sourced from PubChem (CID 110176757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).