5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide

C20H19ClN4O — CID 109291719

IUPAC5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(Nc2cccc(Cl)c2C)cn1)c1ccccc1
InChIInChI=1S/C20H19ClN4O/c1-3-25(15-8-5-4-6-9-15)20(26)18-12-23-19(13-22-18)24-17-11-7-10-16(21)14(17)2/h4-13H,3H2,1-2H3,(H,23,24)
InChIKeyGTPMSEDDGQLEDN-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.85
Rot. Bonds5

About 5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide

5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide (PubChem CID 109291719) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
PubChem CID109291719
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(Nc2cccc(Cl)c2C)cn1)c1ccccc1
InChIInChI=1S/C20H19ClN4O/c1-3-25(15-8-5-4-6-9-15)20(26)18-12-23-19(13-22-18)24-17-11-7-10-16(21)14(17)2/h4-13H,3H2,1-2H3,(H,23,24)
InChIKeyGTPMSEDDGQLEDN-UHFFFAOYSA-N
XLogP4.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291721
5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291773
5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290226
N-ethyl-5-(4-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291715
N-ethyl-5-(3-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291751
5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286840
5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109282125
5-(3-chloroanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109292815
2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109092335
5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109293352
N-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109290010
N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272245

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide (CID 109291719) is 5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide is CCN(C(=O)c1cnc(Nc2cccc(Cl)c2C)cn1)c1ccccc1.
What is the InChIKey of 5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide?
The InChIKey is GTPMSEDDGQLEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-3-25(15-8-5-4-6-9-15)20(26)18-12-23-19(13-22-18)24-17-11-7-10-16(21)14(17)2/h4-13H,3H2,1-2H3,(H,23,24).
What are the key properties of 5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide?
5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 109291719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).