5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide

C21H21ClN4O2 — CID 109293034

IUPAC5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(Cl)cc1Nc1cnc(C(=O)Nc2ccc(OC(C)C)cc2)cn1
InChIInChI=1S/C21H21ClN4O2/c1-13(2)28-17-8-6-16(7-9-17)25-21(27)19-11-24-20(12-23-19)26-18-10-15(22)5-4-14(18)3/h4-13H,1-3H3,(H,24,26)(H,25,27)
InChIKeyBDGYKERWVYPMLF-UHFFFAOYSA-N
MW396.88 g/mol
LogP5.22
Rot. Bonds6

About 5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide

5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide (PubChem CID 109293034) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
PubChem CID109293034
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(Cl)cc1Nc1cnc(C(=O)Nc2ccc(OC(C)C)cc2)cn1
InChIInChI=1S/C21H21ClN4O2/c1-13(2)28-17-8-6-16(7-9-17)25-21(27)19-11-24-20(12-23-19)26-18-10-15(22)5-4-14(18)3/h4-13H,1-3H3,(H,24,26)(H,25,27)
InChIKeyBDGYKERWVYPMLF-UHFFFAOYSA-N
XLogP5.22
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide
CID 109293026
5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293037
2-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317120
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292823
5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293804
5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293861
5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280832
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-(4-methoxyphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289766
5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 109292659
5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293161

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide (CID 109293034) is 5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide is Cc1ccc(Cl)cc1Nc1cnc(C(=O)Nc2ccc(OC(C)C)cc2)cn1.
What is the InChIKey of 5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The InChIKey is BDGYKERWVYPMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-13(2)28-17-8-6-16(7-9-17)25-21(27)19-11-24-20(12-23-19)26-18-10-15(22)5-4-14(18)3/h4-13H,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109293034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).