N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide

C15H16N4O4 — CID 847629

IUPACN-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cnccn2)cc(OC)c1OC
InChIInChI=1S/C15H16N4O4/c1-21-12-6-10(7-13(22-2)14(12)23-3)8-18-19-15(20)11-9-16-4-5-17-11/h4-9H,1-3H3,(H,19,20)
InChIKeyFPBWXDUKTWKNMF-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.27
Rot. Bonds6

About N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide

N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide (PubChem CID 847629) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
PubChem CID847629
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC NameN-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cnccn2)cc(OC)c1OC
InChIInChI=1S/C15H16N4O4/c1-21-12-6-10(7-13(22-2)14(12)23-3)8-18-19-15(20)11-9-16-4-5-17-11/h4-9H,1-3H3,(H,19,20)
InChIKeyFPBWXDUKTWKNMF-UHFFFAOYSA-N
XLogP1.27
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 950063
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6321940
6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450912
1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 92856854
6-(4-ethoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 171771765
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyrazine-2-carboxamide
CID 3703311
3,4-dimethoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 5335848
N-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide
CID 155805407
5-tert-butyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 1351155
5-propan-2-yl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 761807
6-oxo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide
CID 869840
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate
CID 139074065

Frequently Asked Questions

What is the IUPAC name of N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide (CID 847629) is N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide is COc1cc(C=NNC(=O)c2cnccn2)cc(OC)c1OC.
What is the InChIKey of N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The InChIKey is FPBWXDUKTWKNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-21-12-6-10(7-13(22-2)14(12)23-3)8-18-19-15(20)11-9-16-4-5-17-11/h4-9H,1-3H3,(H,19,20).
What are the key properties of N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 847629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).