N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide

C22H24N4O3 — CID 109282289

IUPACN-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(NCc3ccccc3OC)cn2)c1
InChIInChI=1S/C22H24N4O3/c1-28-18-8-5-6-16(12-18)10-11-23-22(27)19-14-26-21(15-24-19)25-13-17-7-3-4-9-20(17)29-2/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyIMXJTKMLXIXSFT-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.08
Rot. Bonds9

About N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109282289) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109282289
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(NCc3ccccc3OC)cn2)c1
InChIInChI=1S/C22H24N4O3/c1-28-18-8-5-6-16(12-18)10-11-23-22(27)19-14-26-21(15-24-19)25-13-17-7-3-4-9-20(17)29-2/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyIMXJTKMLXIXSFT-UHFFFAOYSA-N
XLogP3.08
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282308
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109281680
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282298
5-[3-(dimethylamino)propylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109277930
N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282286
5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109272575
6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109348949
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188265
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281291
5-(2,6-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284776
5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 107853484
5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272757

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide (CID 109282289) is N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide is COc1cccc(CCNC(=O)c2cnc(NCc3ccccc3OC)cn2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is IMXJTKMLXIXSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-18-8-5-6-16(12-18)10-11-23-22(27)19-14-26-21(15-24-19)25-13-17-7-3-4-9-20(17)29-2/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109282289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).