ethyl N-[4-amino-1-[(E)-benzylideneamino]imidazo[4,5-c]pyridin-6-yl]carbamate

C16H16N6O2 — CID 14530459

IUPACethyl N-[4-amino-1-[(E)-benzylideneamino]imidazo[4,5-c]pyridin-6-yl]carbamate
SMILESCCOC(=O)Nc1cc2c(ncn2/N=C/c2ccccc2)c(N)n1
InChIInChI=1S/C16H16N6O2/c1-2-24-16(23)21-13-8-12-14(15(17)20-13)18-10-22(12)19-9-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,17,20,21,23)/b19-9+
InChIKeyZOBIIHXVORMPLQ-DJKKODMXSA-N
MW324.34 g/mol
LogP2.46
Rot. Bonds4

About ethyl N-[4-amino-1-[(E)-benzylideneamino]imidazo[4,5-c]pyridin-6-yl]carbamate

ethyl N-[4-amino-1-[(E)-benzylideneamino]imidazo[4,5-c]pyridin-6-yl]carbamate (PubChem CID 14530459) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is ethyl N-[4-amino-1-[(E)-benzylideneamino]imidazo[4,5-c]pyridin-6-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-amino-1-[(E)-benzylideneamino]imidazo[4,5-c]pyridin-6-yl]carbamate
PubChem CID14530459
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Nameethyl N-[4-amino-1-[(E)-benzylideneamino]imidazo[4,5-c]pyridin-6-yl]carbamate
SMILESCCOC(=O)Nc1cc2c(ncn2/N=C/c2ccccc2)c(N)n1
InChIInChI=1S/C16H16N6O2/c1-2-24-16(23)21-13-8-12-14(15(17)20-13)18-10-22(12)19-9-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,17,20,21,23)/b19-9+
InChIKeyZOBIIHXVORMPLQ-DJKKODMXSA-N
XLogP2.46
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-amino-1-[(E)-benzylideneamino]imidazo[4,5-c]pyridin-6-yl]carbamate?
The IUPAC name of ethyl N-[4-amino-1-[(E)-benzylideneamino]imidazo[4,5-c]pyridin-6-yl]carbamate (CID 14530459) is ethyl N-[4-amino-1-[(E)-benzylideneamino]imidazo[4,5-c]pyridin-6-yl]carbamate.
What is the SMILES notation for ethyl N-[4-amino-1-[(E)-benzylideneamino]imidazo[4,5-c]pyridin-6-yl]carbamate?
The canonical SMILES for ethyl N-[4-amino-1-[(E)-benzylideneamino]imidazo[4,5-c]pyridin-6-yl]carbamate is CCOC(=O)Nc1cc2c(ncn2/N=C/c2ccccc2)c(N)n1.
What is the InChIKey of ethyl N-[4-amino-1-[(E)-benzylideneamino]imidazo[4,5-c]pyridin-6-yl]carbamate?
The InChIKey is ZOBIIHXVORMPLQ-DJKKODMXSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-2-24-16(23)21-13-8-12-14(15(17)20-13)18-10-22(12)19-9-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,17,20,21,23)/b19-9+.
What are the key properties of ethyl N-[4-amino-1-[(E)-benzylideneamino]imidazo[4,5-c]pyridin-6-yl]carbamate?
ethyl N-[4-amino-1-[(E)-benzylideneamino]imidazo[4,5-c]pyridin-6-yl]carbamate has a molecular weight of 324.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-amino-1-[(E)-benzylideneamino]imidazo[4,5-c]pyridin-6-yl]carbamate is sourced from PubChem (CID 14530459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).