N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide

C22H24N4O — CID 109280021

IUPACN-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
SMILESCc1cc(C)c(Nc2cnc(C(=O)NCc3ccccc3C)cn2)c(C)c1
InChIInChI=1S/C22H24N4O/c1-14-9-16(3)21(17(4)10-14)26-20-13-23-19(12-24-20)22(27)25-11-18-8-6-5-7-15(18)2/h5-10,12-13H,11H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyFTXMJKWMXPPZNM-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.38
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide

N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide (PubChem CID 109280021) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
PubChem CID109280021
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
SMILESCc1cc(C)c(Nc2cnc(C(=O)NCc3ccccc3C)cn2)c(C)c1
InChIInChI=1S/C22H24N4O/c1-14-9-16(3)21(17(4)10-14)26-20-13-23-19(12-24-20)22(27)25-11-18-8-6-5-7-15(18)2/h5-10,12-13H,11H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyFTXMJKWMXPPZNM-UHFFFAOYSA-N
XLogP4.38
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280014
5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280063
5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280085
5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271771
5-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280053
N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109279954
5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279992
5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109283000
N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109281332
5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283574
N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109281831
N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109279989

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide (CID 109280021) is N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide is Cc1cc(C)c(Nc2cnc(C(=O)NCc3ccccc3C)cn2)c(C)c1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide?
The InChIKey is FTXMJKWMXPPZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-14-9-16(3)21(17(4)10-14)26-20-13-23-19(12-24-20)22(27)25-11-18-8-6-5-7-15(18)2/h5-10,12-13H,11H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide?
N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109280021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).