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

C19H18ClN5O — CID 109292849

IUPACN-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
SMILESCN(C)c1ccc(Nc2cnc(C(=O)Nc3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C19H18ClN5O/c1-25(2)16-9-7-14(8-10-16)23-18-12-21-17(11-22-18)19(26)24-15-5-3-13(20)4-6-15/h3-12H,1-2H3,(H,22,23)(H,24,26)
InChIKeyRWQPQIFKMLPBSS-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.19
Rot. Bonds5

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

N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide (PubChem CID 109292849) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
PubChem CID109292849
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC NameN-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
SMILESCN(C)c1ccc(Nc2cnc(C(=O)Nc3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C19H18ClN5O/c1-25(2)16-9-7-14(8-10-16)23-18-12-21-17(11-22-18)19(26)24-15-5-3-13(20)4-6-15/h3-12H,1-2H3,(H,22,23)(H,24,26)
InChIKeyRWQPQIFKMLPBSS-UHFFFAOYSA-N
XLogP4.19
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.19
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-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide
CID 109293760
N-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289786
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109294263
5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290744
5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109271899
5-(2-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109292270
5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293832
5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277199
N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109274776
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292823
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide
CID 109292906

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide (CID 109292849) is N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide is CN(C)c1ccc(Nc2cnc(C(=O)Nc3ccc(Cl)cc3)cn2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide?
The InChIKey is RWQPQIFKMLPBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-25(2)16-9-7-14(8-10-16)23-18-12-21-17(11-22-18)19(26)24-15-5-3-13(20)4-6-15/h3-12H,1-2H3,(H,22,23)(H,24,26).
What are the key properties of N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide?
N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 109292849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).