ethyl N-[2-amino-4-(3-aminophenoxy)-1,2-dihydropyridin-3-yl]carbamate

C14H18N4O3 — CID 143569291

IUPACethyl N-[2-amino-4-(3-aminophenoxy)-1,2-dihydropyridin-3-yl]carbamate
SMILESCCOC(=O)NC1=C(Oc2cccc(N)c2)C=CNC1N
InChIInChI=1S/C14H18N4O3/c1-2-20-14(19)18-12-11(6-7-17-13(12)16)21-10-5-3-4-9(15)8-10/h3-8,13,17H,2,15-16H2,1H3,(H,18,19)
InChIKeyAZHCTHZMXZFYRB-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.01
Rot. Bonds4

About ethyl N-[2-amino-4-(3-aminophenoxy)-1,2-dihydropyridin-3-yl]carbamate

ethyl N-[2-amino-4-(3-aminophenoxy)-1,2-dihydropyridin-3-yl]carbamate (PubChem CID 143569291) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl N-[2-amino-4-(3-aminophenoxy)-1,2-dihydropyridin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-4-(3-aminophenoxy)-1,2-dihydropyridin-3-yl]carbamate
PubChem CID143569291
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Nameethyl N-[2-amino-4-(3-aminophenoxy)-1,2-dihydropyridin-3-yl]carbamate
SMILESCCOC(=O)NC1=C(Oc2cccc(N)c2)C=CNC1N
InChIInChI=1S/C14H18N4O3/c1-2-20-14(19)18-12-11(6-7-17-13(12)16)21-10-5-3-4-9(15)8-10/h3-8,13,17H,2,15-16H2,1H3,(H,18,19)
InChIKeyAZHCTHZMXZFYRB-UHFFFAOYSA-N
XLogP1.01
TPSA111.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-4-(3-aminophenoxy)-1,2-dihydropyridin-3-yl]carbamate?
The IUPAC name of ethyl N-[2-amino-4-(3-aminophenoxy)-1,2-dihydropyridin-3-yl]carbamate (CID 143569291) is ethyl N-[2-amino-4-(3-aminophenoxy)-1,2-dihydropyridin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-4-(3-aminophenoxy)-1,2-dihydropyridin-3-yl]carbamate?
The canonical SMILES for ethyl N-[2-amino-4-(3-aminophenoxy)-1,2-dihydropyridin-3-yl]carbamate is CCOC(=O)NC1=C(Oc2cccc(N)c2)C=CNC1N.
What is the InChIKey of ethyl N-[2-amino-4-(3-aminophenoxy)-1,2-dihydropyridin-3-yl]carbamate?
The InChIKey is AZHCTHZMXZFYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-2-20-14(19)18-12-11(6-7-17-13(12)16)21-10-5-3-4-9(15)8-10/h3-8,13,17H,2,15-16H2,1H3,(H,18,19).
What are the key properties of ethyl N-[2-amino-4-(3-aminophenoxy)-1,2-dihydropyridin-3-yl]carbamate?
ethyl N-[2-amino-4-(3-aminophenoxy)-1,2-dihydropyridin-3-yl]carbamate has a molecular weight of 290.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-4-(3-aminophenoxy)-1,2-dihydropyridin-3-yl]carbamate is sourced from PubChem (CID 143569291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).