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

C20H21N5O — CID 109289786

IUPACN-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide
SMILESCc1ccccc1Nc1cnc(C(=O)Nc2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C20H21N5O/c1-14-6-4-5-7-17(14)24-19-13-21-18(12-22-19)20(26)23-15-8-10-16(11-9-15)25(2)3/h4-13H,1-3H3,(H,22,24)(H,23,26)
InChIKeyGVYFYNIVLCFTLW-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.85
Rot. Bonds5

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

N-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide (PubChem CID 109289786) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide
PubChem CID109289786
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide
SMILESCc1ccccc1Nc1cnc(C(=O)Nc2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C20H21N5O/c1-14-6-4-5-7-17(14)24-19-13-21-18(12-22-19)20(26)23-15-8-10-16(11-9-15)25(2)3/h4-13H,1-3H3,(H,22,24)(H,23,26)
InChIKeyGVYFYNIVLCFTLW-UHFFFAOYSA-N
XLogP3.85
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.85
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

5-(2-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109292270
N-(4-methoxyphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289766
N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109292849
5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293832
5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289526
5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290744
5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290079
5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290035
N-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide
CID 109293760
5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289697
N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290811
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292823

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide (CID 109289786) is N-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide is Cc1ccccc1Nc1cnc(C(=O)Nc2ccc(N(C)C)cc2)cn1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide?
The InChIKey is GVYFYNIVLCFTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-6-4-5-7-17(14)24-19-13-21-18(12-22-19)20(26)23-15-8-10-16(11-9-15)25(2)3/h4-13H,1-3H3,(H,22,24)(H,23,26).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide?
N-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109289786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).