N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide

C21H21N5O3 — CID 109282564

IUPACN-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
SMILESCOc1ccc(CNc2cnc(C(=O)Nc3ccc(NC(C)=O)cc3)cn2)cc1
InChIInChI=1S/C21H21N5O3/c1-14(27)25-16-5-7-17(8-6-16)26-21(28)19-12-24-20(13-22-19)23-11-15-3-9-18(29-2)10-4-15/h3-10,12-13H,11H2,1-2H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyFKRADJXBIALORB-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.31
Rot. Bonds7

About N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide

N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109282564) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109282564
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
SMILESCOc1ccc(CNc2cnc(C(=O)Nc3ccc(NC(C)=O)cc3)cn2)cc1
InChIInChI=1S/C21H21N5O3/c1-14(27)25-16-5-7-17(8-6-16)26-21(28)19-12-24-20(13-22-19)23-11-15-3-9-18(29-2)10-4-15/h3-10,12-13H,11H2,1-2H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyFKRADJXBIALORB-UHFFFAOYSA-N
XLogP3.31
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282562
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190534
N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120236
N-(2-fluorophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282537
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258158
N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281544
5-hydrazinyl-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 107377590
N-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282542
N-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283696
5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282451
N-(4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191679
N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190538

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide (CID 109282564) is N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide is COc1ccc(CNc2cnc(C(=O)Nc3ccc(NC(C)=O)cc3)cn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is FKRADJXBIALORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-14(27)25-16-5-7-17(8-6-16)26-21(28)19-12-24-20(13-22-19)23-11-15-3-9-18(29-2)10-4-15/h3-10,12-13H,11H2,1-2H3,(H,23,24)(H,25,27)(H,26,28).
What are the key properties of N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109282564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).