N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide

C14H14N4O2 — CID 44613929

IUPACN-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCCOc1cccc(/C=N/NC(=O)c2cnccn2)c1
InChIInChI=1S/C14H14N4O2/c1-2-20-12-5-3-4-11(8-12)9-17-18-14(19)13-10-15-6-7-16-13/h3-10H,2H2,1H3,(H,18,19)/b17-9+
InChIKeyUCPGYDAPEYFUMF-RQZCQDPDSA-N
MW270.29 g/mol
LogP1.64
Rot. Bonds5

About N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide

N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide (PubChem CID 44613929) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
PubChem CID44613929
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCCOc1cccc(/C=N/NC(=O)c2cnccn2)c1
InChIInChI=1S/C14H14N4O2/c1-2-20-12-5-3-4-11(8-12)9-17-18-14(19)13-10-15-6-7-16-13/h3-10H,2H2,1H3,(H,18,19)/b17-9+
InChIKeyUCPGYDAPEYFUMF-RQZCQDPDSA-N
XLogP1.64
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide 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

N-[(Z)-(3-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 40618803
N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 760521
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate
CID 139074065
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 950063
N-[(3-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 761649
4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 17246375
N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 950938
6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450587
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 135635822
ethyl 2-[3-[(E)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 17246379
N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 6116232
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pyridine-2-carboxamide
CID 9194640

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide (CID 44613929) is N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide is CCOc1cccc(/C=N/NC(=O)c2cnccn2)c1.
What is the InChIKey of N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The InChIKey is UCPGYDAPEYFUMF-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-20-12-5-3-4-11(8-12)9-17-18-14(19)13-10-15-6-7-16-13/h3-10H,2H2,1H3,(H,18,19)/b17-9+.
What are the key properties of N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 44613929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).