N-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide

C20H17N5O — CID 109280482

IUPACN-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1cccc(CNc2cnc(C(=O)Nc3ccccc3C#N)cn2)c1
InChIInChI=1S/C20H17N5O/c1-14-5-4-6-15(9-14)11-23-19-13-22-18(12-24-19)20(26)25-17-8-3-2-7-16(17)10-21/h2-9,12-13H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyMMELFKIKMGVSMU-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.52
Rot. Bonds5

About N-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide

N-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109280482) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109280482
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1cccc(CNc2cnc(C(=O)Nc3ccccc3C#N)cn2)c1
InChIInChI=1S/C20H17N5O/c1-14-5-4-6-15(9-14)11-23-19-13-22-18(12-24-19)20(26)25-17-8-3-2-7-16(17)10-21/h2-9,12-13H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyMMELFKIKMGVSMU-UHFFFAOYSA-N
XLogP3.52
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118339
N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280416
ethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109280481
N-(2-cyanophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271145
N-(2,5-dichlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280476
N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290955
N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280431
5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294656
5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109280422
N-(2-cyanophenyl)-5-(2-ethylanilino)pyrazine-2-carboxamide
CID 109291580
5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109280424
5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109279896

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide (CID 109280482) is N-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide is Cc1cccc(CNc2cnc(C(=O)Nc3ccccc3C#N)cn2)c1.
What is the InChIKey of N-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is MMELFKIKMGVSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-14-5-4-6-15(9-14)11-23-19-13-22-18(12-24-19)20(26)25-17-8-3-2-7-16(17)10-21/h2-9,12-13H,11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide?
N-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109280482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).