5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide

C20H19ClN4O — CID 109280832

IUPAC5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
SMILESCc1ccc(Cl)cc1Nc1cnc(C(=O)NC(C)c2ccccc2)cn1
InChIInChI=1S/C20H19ClN4O/c1-13-8-9-16(21)10-17(13)25-19-12-22-18(11-23-19)20(26)24-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,23,25)(H,24,26)
InChIKeyBITJLHNEWBXVQW-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.67
Rot. Bonds5

About 5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide

5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide (PubChem CID 109280832) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
PubChem CID109280832
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
SMILESCc1ccc(Cl)cc1Nc1cnc(C(=O)NC(C)c2ccccc2)cn1
InChIInChI=1S/C20H19ClN4O/c1-13-8-9-16(21)10-17(13)25-19-12-22-18(11-23-19)20(26)24-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,23,25)(H,24,26)
InChIKeyBITJLHNEWBXVQW-UHFFFAOYSA-N
XLogP4.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280804
5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280871
N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109280820
5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283846
5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 109292659
5-(4-chloro-2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188912
5-(5-chloro-2-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293027
5-(5-chloro-2-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271670
N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide
CID 109293026
5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293034
5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289712
N-(1-phenylethyl)-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109280869

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide (CID 109280832) is 5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide is Cc1ccc(Cl)cc1Nc1cnc(C(=O)NC(C)c2ccccc2)cn1.
What is the InChIKey of 5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is BITJLHNEWBXVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-8-9-16(21)10-17(13)25-19-12-22-18(11-23-19)20(26)24-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109280832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).