N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide

C15H16N4O3 — CID 950063

IUPACN-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCCOc1ccc(C=NNC(=O)c2cnccn2)cc1OC
InChIInChI=1S/C15H16N4O3/c1-3-22-13-5-4-11(8-14(13)21-2)9-18-19-15(20)12-10-16-6-7-17-12/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyNAERVOQFDCWLNM-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.65
Rot. Bonds6

About N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide

N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide (PubChem CID 950063) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
PubChem CID950063
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCCOc1ccc(C=NNC(=O)c2cnccn2)cc1OC
InChIInChI=1S/C15H16N4O3/c1-3-22-13-5-4-11(8-14(13)21-2)9-18-19-15(20)12-10-16-6-7-17-12/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyNAERVOQFDCWLNM-UHFFFAOYSA-N
XLogP1.65
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyrazine-2-carboxamide
CID 3703311
2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
CID 2853456
N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 760521
N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 847629
N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 44613929
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 5416303
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005
ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 2590100
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922
5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 4109085

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide (CID 950063) is N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide is CCOc1ccc(C=NNC(=O)c2cnccn2)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The InChIKey is NAERVOQFDCWLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-3-22-13-5-4-11(8-14(13)21-2)9-18-19-15(20)12-10-16-6-7-17-12/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 950063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).