5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide

C16H19ClN4O — CID 158947283

IUPAC5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide
SMILESCCc1ccc(Nc2nc(Cl)c(CC)nc2C(N)=O)cc1C
InChIInChI=1S/C16H19ClN4O/c1-4-10-6-7-11(8-9(10)3)19-16-13(15(18)22)20-12(5-2)14(17)21-16/h6-8H,4-5H2,1-3H3,(H2,18,22)(H,19,21)
InChIKeyJKZBNDPAGGQPKZ-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.41
Rot. Bonds5

About 5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide

5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide (PubChem CID 158947283) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide
PubChem CID158947283
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide
SMILESCCc1ccc(Nc2nc(Cl)c(CC)nc2C(N)=O)cc1C
InChIInChI=1S/C16H19ClN4O/c1-4-10-6-7-11(8-9(10)3)19-16-13(15(18)22)20-12(5-2)14(17)21-16/h6-8H,4-5H2,1-3H3,(H2,18,22)(H,19,21)
InChIKeyJKZBNDPAGGQPKZ-UHFFFAOYSA-N
XLogP3.41
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-ethyl-3-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 87092141
3-anilino-5-chloro-6-ethylpyrazine-2-carboxamide
CID 155756328
3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide
CID 167487007
5-chloro-6-ethyl-3-(3-methyl-4-spiro[indene-1,4'-piperidine]-1'-ylanilino)pyrazine-2-carboxamide
CID 88569575
5-chloro-6-ethyl-3-[3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 88571970
5-chloro-6-ethyl-3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 88572016
5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide
CID 88569686
tert-butyl N-[(2S)-2-[3-[(3-carbamoyl-6-chloro-5-ethylpyrazin-2-yl)amino]phenyl]propyl]carbamate
CID 168970522
5-chloro-6-ethyl-3-[3-fluoro-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]anilino]pyrazine-2-carboxamide
CID 88569779
tert-butyl 4-[4-[(3-carbamoyl-6-chloro-5-ethylpyrazin-2-yl)amino]phenyl]piperazine-1-carboxylate
CID 88569552
tert-butyl N-[(2S)-2-[3-[(3-carbamoyl-6-chloro-5-ethylpyrazin-2-yl)amino]-5-fluorophenoxy]propyl]carbamate
CID 167487352
N-(4-ethyl-3-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114250739

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide (CID 158947283) is 5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide is CCc1ccc(Nc2nc(Cl)c(CC)nc2C(N)=O)cc1C.
What is the InChIKey of 5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide?
The InChIKey is JKZBNDPAGGQPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-4-10-6-7-11(8-9(10)3)19-16-13(15(18)22)20-12(5-2)14(17)21-16/h6-8H,4-5H2,1-3H3,(H2,18,22)(H,19,21).
What are the key properties of 5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide?
5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 158947283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).