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

C19H17ClN4O — CID 109280431

IUPACN-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1cccc(CNc2cnc(C(=O)Nc3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C19H17ClN4O/c1-13-3-2-4-14(9-13)10-22-18-12-21-17(11-23-18)19(25)24-16-7-5-15(20)6-8-16/h2-9,11-12H,10H2,1H3,(H,22,23)(H,24,25)
InChIKeyAYIZPITZGGXKOO-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.30
Rot. Bonds5

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

N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109280431) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109280431
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1cccc(CNc2cnc(C(=O)Nc3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C19H17ClN4O/c1-13-3-2-4-14(9-13)10-22-18-12-21-17(11-23-18)19(25)24-16-7-5-15(20)6-8-16/h2-9,11-12H,10H2,1H3,(H,22,23)(H,24,25)
InChIKeyAYIZPITZGGXKOO-UHFFFAOYSA-N
XLogP4.30
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109280422
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
N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109282153
N-(4-chlorophenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327627
5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109289157
3-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011684
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-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109280424
N-(5-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188556

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide (CID 109280431) is N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide is Cc1cccc(CNc2cnc(C(=O)Nc3ccc(Cl)cc3)cn2)c1.
What is the InChIKey of N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is AYIZPITZGGXKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-13-3-2-4-14(9-13)10-22-18-12-21-17(11-23-18)19(25)24-16-7-5-15(20)6-8-16/h2-9,11-12H,10H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide?
N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109280431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).