ethyl N-[7-[(2E)-2-benzylidenehydrazinyl]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate

C16H16N6O2 — CID 14530460

IUPACethyl N-[7-[(2E)-2-benzylidenehydrazinyl]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate
SMILESCCOC(=O)Nc1cc(N/N=C/c2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C16H16N6O2/c1-2-24-16(23)21-13-8-12(14-15(20-13)18-10-17-14)22-19-9-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,17,18,20,21,22,23)/b19-9+
InChIKeyUGPKHAUQXRUKLX-DJKKODMXSA-N
MW324.34 g/mol
LogP2.97
Rot. Bonds5

About ethyl N-[7-[(2E)-2-benzylidenehydrazinyl]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate

ethyl N-[7-[(2E)-2-benzylidenehydrazinyl]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate (PubChem CID 14530460) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is ethyl N-[7-[(2E)-2-benzylidenehydrazinyl]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[7-[(2E)-2-benzylidenehydrazinyl]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate
PubChem CID14530460
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Nameethyl N-[7-[(2E)-2-benzylidenehydrazinyl]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate
SMILESCCOC(=O)Nc1cc(N/N=C/c2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C16H16N6O2/c1-2-24-16(23)21-13-8-12(14-15(20-13)18-10-17-14)22-19-9-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,17,18,20,21,22,23)/b19-9+
InChIKeyUGPKHAUQXRUKLX-DJKKODMXSA-N
XLogP2.97
TPSA104.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl N-[7-[(2E)-2-benzylidenehydrazinyl]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[7-[(2E)-2-benzylidenehydrazinyl]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate?
The IUPAC name of ethyl N-[7-[(2E)-2-benzylidenehydrazinyl]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate (CID 14530460) is ethyl N-[7-[(2E)-2-benzylidenehydrazinyl]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate.
What is the SMILES notation for ethyl N-[7-[(2E)-2-benzylidenehydrazinyl]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate?
The canonical SMILES for ethyl N-[7-[(2E)-2-benzylidenehydrazinyl]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate is CCOC(=O)Nc1cc(N/N=C/c2ccccc2)c2[nH]cnc2n1.
What is the InChIKey of ethyl N-[7-[(2E)-2-benzylidenehydrazinyl]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate?
The InChIKey is UGPKHAUQXRUKLX-DJKKODMXSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-2-24-16(23)21-13-8-12(14-15(20-13)18-10-17-14)22-19-9-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,17,18,20,21,22,23)/b19-9+.
What are the key properties of ethyl N-[7-[(2E)-2-benzylidenehydrazinyl]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate?
ethyl N-[7-[(2E)-2-benzylidenehydrazinyl]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate has a molecular weight of 324.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[7-[(2E)-2-benzylidenehydrazinyl]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate is sourced from PubChem (CID 14530460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).