N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide

C22H25N5O — CID 109290357

IUPACN-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc(N(C)c3ccccc3)cn2)cc1
InChIInChI=1S/C22H25N5O/c1-4-27(5-2)19-13-11-17(12-14-19)25-22(28)20-15-24-21(16-23-20)26(3)18-9-7-6-8-10-18/h6-16H,4-5H2,1-3H3,(H,25,28)
InChIKeyPHJLSXGQSCYRFU-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.34
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide

N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide (PubChem CID 109290357) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide
PubChem CID109290357
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc(N(C)c3ccccc3)cn2)cc1
InChIInChI=1S/C22H25N5O/c1-4-27(5-2)19-13-11-17(12-14-19)25-22(28)20-15-24-21(16-23-20)26(3)18-9-7-6-8-10-18/h6-16H,4-5H2,1-3H3,(H,25,28)
InChIKeyPHJLSXGQSCYRFU-UHFFFAOYSA-N
XLogP4.34
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(N-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289424
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290333
N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219474
5-(N-ethylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109291797
N-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290311
5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109188091
5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109290312
N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide
CID 109294256
5-(N-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283821
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide
CID 109287415
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide (CID 109290357) is N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2cnc(N(C)c3ccccc3)cn2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide?
The InChIKey is PHJLSXGQSCYRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-4-27(5-2)19-13-11-17(12-14-19)25-22(28)20-15-24-21(16-23-20)26(3)18-9-7-6-8-10-18/h6-16H,4-5H2,1-3H3,(H,25,28).
What are the key properties of N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide?
N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109290357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).