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

C19H16Cl2N4O — CID 109280745

IUPACN-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1ccc(CNc2cnc(C(=O)Nc3cccc(Cl)c3Cl)cn2)cc1
InChIInChI=1S/C19H16Cl2N4O/c1-12-5-7-13(8-6-12)9-23-17-11-22-16(10-24-17)19(26)25-15-4-2-3-14(20)18(15)21/h2-8,10-11H,9H2,1H3,(H,23,24)(H,25,26)
InChIKeyNLGDIGJYVLMTSS-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.96
Rot. Bonds5

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

N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109280745) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109280745
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC NameN-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1ccc(CNc2cnc(C(=O)Nc3cccc(Cl)c3Cl)cn2)cc1
InChIInChI=1S/C19H16Cl2N4O/c1-12-5-7-13(8-6-12)9-23-17-11-22-16(10-24-17)19(26)25-15-4-2-3-14(20)18(15)21/h2-8,10-11H,9H2,1H3,(H,23,24)(H,25,26)
InChIKeyNLGDIGJYVLMTSS-UHFFFAOYSA-N
XLogP4.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281781
N-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282542
N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280627
N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283708
N-(2,3-dimethylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281720
N-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271537
N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109290002
5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide
CID 109282132
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-(2-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374242
5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109279896

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide (CID 109280745) is N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide is Cc1ccc(CNc2cnc(C(=O)Nc3cccc(Cl)c3Cl)cn2)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is NLGDIGJYVLMTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-12-5-7-13(8-6-12)9-23-17-11-22-16(10-24-17)19(26)25-15-4-2-3-14(20)18(15)21/h2-8,10-11H,9H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109280745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).