N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide

C19H25N5O — CID 109274776

IUPACN-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
SMILESCN(C)c1ccc(Nc2cnc(C(=O)NC3CCCCC3)cn2)cc1
InChIInChI=1S/C19H25N5O/c1-24(2)16-10-8-15(9-11-16)22-18-13-20-17(12-21-18)19(25)23-14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyCERXCRNSOLCJDZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.35
Rot. Bonds5

About N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide

N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide (PubChem CID 109274776) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
PubChem CID109274776
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
SMILESCN(C)c1ccc(Nc2cnc(C(=O)NC3CCCCC3)cn2)cc1
InChIInChI=1S/C19H25N5O/c1-24(2)16-10-8-15(9-11-16)22-18-13-20-17(12-21-18)19(25)23-14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyCERXCRNSOLCJDZ-UHFFFAOYSA-N
XLogP3.35
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
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-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109112406
5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271696
N-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide
CID 109179984
N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109274017
N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109292849
N-cyclopentyl-2-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109298177
5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide
CID 109274767
5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109271899
5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271678
N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274884
N-cyclohexyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274635
5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide
CID 109274039

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide (CID 109274776) is N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide is CN(C)c1ccc(Nc2cnc(C(=O)NC3CCCCC3)cn2)cc1.
What is the InChIKey of N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide?
The InChIKey is CERXCRNSOLCJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-24(2)16-10-8-15(9-11-16)22-18-13-20-17(12-21-18)19(25)23-14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide?
N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 109274776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).