5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide

C15H18ClN5O — CID 109277199

IUPAC5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cnc(Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H18ClN5O/c1-21(2)8-7-17-15(22)13-9-19-14(10-18-13)20-12-5-3-11(16)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,22)(H,19,20)
InChIKeyXVIMLHVCFMWDDO-UHFFFAOYSA-N
MW319.80 g/mol
LogP2.16
Rot. Bonds6

About 5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide

5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide (PubChem CID 109277199) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
PubChem CID109277199
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cnc(Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H18ClN5O/c1-21(2)8-7-17-15(22)13-9-19-14(10-18-13)20-12-5-3-11(16)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,22)(H,19,20)
InChIKeyXVIMLHVCFMWDDO-UHFFFAOYSA-N
XLogP2.16
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109277174
5-anilino-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277171
ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate
CID 109277253
N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109277841
5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277249
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277250
N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109277809
5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285808
5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287011
N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109292849
N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109277864
N-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109277899

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide (CID 109277199) is 5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide is CN(C)CCNC(=O)c1cnc(Nc2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
The InChIKey is XVIMLHVCFMWDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c1-21(2)8-7-17-15(22)13-9-19-14(10-18-13)20-12-5-3-11(16)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,22)(H,19,20).
What are the key properties of 5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide has a molecular weight of 319.80 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109277199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).