N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide

C21H21ClN4O — CID 109285792

IUPACN-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
SMILESCc1cccc(Nc2cnc(C(=O)NCCc3ccc(Cl)cc3)cn2)c1C
InChIInChI=1S/C21H21ClN4O/c1-14-4-3-5-18(15(14)2)26-20-13-24-19(12-25-20)21(27)23-11-10-16-6-8-17(22)9-7-16/h3-9,12-13H,10-11H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyLHHZQXJKMSBUGS-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.46
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide (PubChem CID 109285792) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
PubChem CID109285792
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
SMILESCc1cccc(Nc2cnc(C(=O)NCCc3ccc(Cl)cc3)cn2)c1C
InChIInChI=1S/C21H21ClN4O/c1-14-4-3-5-18(15(14)2)26-20-13-24-19(12-25-20)21(27)23-11-10-16-6-8-17(22)9-7-16/h3-9,12-13H,10-11H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyLHHZQXJKMSBUGS-UHFFFAOYSA-N
XLogP4.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)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-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109285781
5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283846
5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide
CID 109288020
N-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109275443
N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109279707
5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280014
N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109291413
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285808
N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284532
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272973
5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291406

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide (CID 109285792) is N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide is Cc1cccc(Nc2cnc(C(=O)NCCc3ccc(Cl)cc3)cn2)c1C.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
The InChIKey is LHHZQXJKMSBUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-14-4-3-5-18(15(14)2)26-20-13-24-19(12-25-20)21(27)23-11-10-16-6-8-17(22)9-7-16/h3-9,12-13H,10-11H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109285792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).