5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide

C18H24N4O3 — CID 109288056

IUPAC5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide
SMILESCCCCCNC(=O)c1cnc(Nc2ccc(OC)cc2OC)cn1
InChIInChI=1S/C18H24N4O3/c1-4-5-6-9-19-18(23)15-11-21-17(12-20-15)22-14-8-7-13(24-2)10-16(14)25-3/h7-8,10-12H,4-6,9H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyTYLWTDYUGZACRH-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.16
Rot. Bonds9

About 5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide

5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide (PubChem CID 109288056) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide
PubChem CID109288056
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide
SMILESCCCCCNC(=O)c1cnc(Nc2ccc(OC)cc2OC)cn1
InChIInChI=1S/C18H24N4O3/c1-4-5-6-9-19-18(23)15-11-21-17(12-20-15)22-14-8-7-13(24-2)10-16(14)25-3/h7-8,10-12H,4-6,9H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyTYLWTDYUGZACRH-UHFFFAOYSA-N
XLogP3.16
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272862
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282254
5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide
CID 109288090
5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide
CID 109288020
N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109277841
2-N-butyl-4-N-(2,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109079502
5-(2-bromo-4-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272501
4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864137
5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277891
methyl 3-[[5-(pentylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109288066
2,4-dimethoxy-N-pentylaniline
CID 28570496
N-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109291979

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide?
The IUPAC name of 5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide (CID 109288056) is 5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide?
The canonical SMILES for 5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide is CCCCCNC(=O)c1cnc(Nc2ccc(OC)cc2OC)cn1.
What is the InChIKey of 5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide?
The InChIKey is TYLWTDYUGZACRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-5-6-9-19-18(23)15-11-21-17(12-20-15)22-14-8-7-13(24-2)10-16(14)25-3/h7-8,10-12H,4-6,9H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide?
5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide is sourced from PubChem (CID 109288056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).