N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide

C20H19ClN4O — CID 109280627

IUPACN-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1ccc(CNc2cnc(C(=O)NCc3ccccc3Cl)cn2)cc1
InChIInChI=1S/C20H19ClN4O/c1-14-6-8-15(9-7-14)10-23-19-13-22-18(12-24-19)20(26)25-11-16-4-2-3-5-17(16)21/h2-9,12-13H,10-11H2,1H3,(H,23,24)(H,25,26)
InChIKeyZKDPZMMYYOOQQU-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.98
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide

N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109280627) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109280627
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1ccc(CNc2cnc(C(=O)NCc3ccccc3Cl)cn2)cc1
InChIInChI=1S/C20H19ClN4O/c1-14-6-8-15(9-7-14)10-23-19-13-22-18(12-24-19)20(26)25-11-16-4-2-3-5-17(16)21/h2-9,12-13H,10-11H2,1H3,(H,23,24)(H,25,26)
InChIKeyZKDPZMMYYOOQQU-UHFFFAOYSA-N
XLogP3.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109279954
5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109281813
N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280745
N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109281831
N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109281812
N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272750
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
N-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281939
5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 113381834
5-(ethylamino)-N-[(2-ethylphenyl)methyl]pyrazine-2-carboxamide
CID 107375903

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide (CID 109280627) is N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide is Cc1ccc(CNc2cnc(C(=O)NCc3ccccc3Cl)cn2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is ZKDPZMMYYOOQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-14-6-8-15(9-7-14)10-23-19-13-22-18(12-24-19)20(26)25-11-16-4-2-3-5-17(16)21/h2-9,12-13H,10-11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109280627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).