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

C19H16Cl2N4O — CID 109281984

IUPACN-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnc(NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C19H16Cl2N4O/c20-15-5-1-13(2-6-15)9-23-18-12-22-17(11-24-18)19(26)25-10-14-3-7-16(21)8-4-14/h1-8,11-12H,9-10H2,(H,23,24)(H,25,26)
InChIKeySDCUSFMYWATBDK-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.33
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109281984) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109281984
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC NameN-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnc(NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C19H16Cl2N4O/c20-15-5-1-13(2-6-15)9-23-18-12-22-17(11-24-18)19(26)25-10-14-3-7-16(21)8-4-14/h1-8,11-12H,9-10H2,(H,23,24)(H,25,26)
InChIKeySDCUSFMYWATBDK-UHFFFAOYSA-N
XLogP4.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282005
N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279476
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
5-[(4-chlorophenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282099
5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide
CID 109282132
5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282039
5-[(4-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277474
N-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348666
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109282024
N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280627
N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide
CID 109282031
N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281544

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide (CID 109281984) is N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cnc(NCc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is SDCUSFMYWATBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c20-15-5-1-13(2-6-15)9-23-18-12-22-17(11-24-18)19(26)25-10-14-3-7-16(21)8-4-14/h1-8,11-12H,9-10H2,(H,23,24)(H,25,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109281984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).