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

C19H16N4O2 — CID 6882172

IUPACN-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESO=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cnccn1
InChIInChI=1S/C19H16N4O2/c24-19(18-13-20-9-10-21-18)23-22-12-16-7-4-8-17(11-16)25-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,23,24)/b22-12+
InChIKeyKGSYWWKEFFKRRJ-WSDLNYQXSA-N
MW332.36 g/mol
LogP2.82
Rot. Bonds6

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

N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyrazine-2-carboxamide (PubChem CID 6882172) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
PubChem CID6882172
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESO=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cnccn1
InChIInChI=1S/C19H16N4O2/c24-19(18-13-20-9-10-21-18)23-22-12-16-7-4-8-17(11-16)25-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,23,24)/b22-12+
InChIKeyKGSYWWKEFFKRRJ-WSDLNYQXSA-N
XLogP2.82
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.82
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyrazine-2-carboxamide (CID 6882172) is N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyrazine-2-carboxamide is O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cnccn1.
What is the InChIKey of N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The InChIKey is KGSYWWKEFFKRRJ-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-19(18-13-20-9-10-21-18)23-22-12-16-7-4-8-17(11-16)25-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,23,24)/b22-12+.
What are the key properties of N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyrazine-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 6882172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).