5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide

C20H20N4O2 — CID 109279896

IUPAC5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc(NCc2ccccc2)cn1
InChIInChI=1S/C20H20N4O2/c1-14-8-9-18(26-2)16(10-14)24-20(25)17-12-23-19(13-21-17)22-11-15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyPMBVUWCYTRLPKD-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.66
Rot. Bonds6

About 5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide

5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109279896) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
PubChem CID109279896
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc(NCc2ccccc2)cn1
InChIInChI=1S/C20H20N4O2/c1-14-8-9-18(26-2)16(10-14)24-20(25)17-12-23-19(13-21-17)22-11-15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyPMBVUWCYTRLPKD-UHFFFAOYSA-N
XLogP3.66
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109279891
5-anilino-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109289569
5-(2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293379
5-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109292670
N-(2-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109292615
5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 103817028
N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118309
N-(2-methoxy-5-methylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350218
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
N-(2-methoxy-5-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256299
5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109291800
5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 109279863

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide (CID 109279896) is 5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide is COc1ccc(C)cc1NC(=O)c1cnc(NCc2ccccc2)cn1.
What is the InChIKey of 5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is PMBVUWCYTRLPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-8-9-18(26-2)16(10-14)24-20(25)17-12-23-19(13-21-17)22-11-15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109279896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).