5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide

C22H24N4O — CID 109280422

IUPAC5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(CNc2cnc(C(=O)Nc3ccc(C(C)C)cc3)cn2)c1
InChIInChI=1S/C22H24N4O/c1-15(2)18-7-9-19(10-8-18)26-22(27)20-13-25-21(14-23-20)24-12-17-6-4-5-16(3)11-17/h4-11,13-15H,12H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyPNIMMJDSMCMGAL-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.77
Rot. Bonds6

About 5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide

5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide (PubChem CID 109280422) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
PubChem CID109280422
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(CNc2cnc(C(=O)Nc3ccc(C(C)C)cc3)cn2)c1
InChIInChI=1S/C22H24N4O/c1-15(2)18-7-9-19(10-8-18)26-22(27)20-13-25-21(14-23-20)24-12-17-6-4-5-16(3)11-17/h4-11,13-15H,12H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyPNIMMJDSMCMGAL-UHFFFAOYSA-N
XLogP4.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280431
5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109280424
5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109289171
N-(2,5-dichlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280476
N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280416
N-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283399
5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109188570
N-(4-ethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188546
N-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280482
5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide
CID 109280397
5-[(3-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109280368
ethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109280481

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide (CID 109280422) is 5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide is Cc1cccc(CNc2cnc(C(=O)Nc3ccc(C(C)C)cc3)cn2)c1.
What is the InChIKey of 5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is PNIMMJDSMCMGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(2)18-7-9-19(10-8-18)26-22(27)20-13-25-21(14-23-20)24-12-17-6-4-5-16(3)11-17/h4-11,13-15H,12H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of 5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109280422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).