N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide

C22H25N5O — CID 109294256

IUPACN-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide
SMILESCCN(c1cccc(C)c1)c1cnc(C(=O)Nc2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C22H25N5O/c1-5-27(19-8-6-7-16(2)13-19)21-15-23-20(14-24-21)22(28)25-17-9-11-18(12-10-17)26(3)4/h6-15H,5H2,1-4H3,(H,25,28)
InChIKeyIQDFLJXDLZCEKO-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.26
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide

N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide (PubChem CID 109294256) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide
PubChem CID109294256
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide
SMILESCCN(c1cccc(C)c1)c1cnc(C(=O)Nc2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C22H25N5O/c1-5-27(19-8-6-7-16(2)13-19)21-15-23-20(14-24-21)22(28)25-17-9-11-18(12-10-17)26(3)4/h6-15H,5H2,1-4H3,(H,25,28)
InChIKeyIQDFLJXDLZCEKO-UHFFFAOYSA-N
XLogP4.26
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.26
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

N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109200389
N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide
CID 109246001
5-(N-ethyl-3-methylanilino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280618
5-(N-ethyl-3-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283898
5-(N-ethyl-3-methylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280082
5-(N-ethylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109291797
N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290357
2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265763
N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113022970
2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313600
2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315780
5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289883

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide (CID 109294256) is N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide is CCN(c1cccc(C)c1)c1cnc(C(=O)Nc2ccc(N(C)C)cc2)cn1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide?
The InChIKey is IQDFLJXDLZCEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-5-27(19-8-6-7-16(2)13-19)21-15-23-20(14-24-21)22(28)25-17-9-11-18(12-10-17)26(3)4/h6-15H,5H2,1-4H3,(H,25,28).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide?
N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109294256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).