3-amino-6-(3-chloro-5-methylphenyl)-N-pentan-3-ylpyrazine-2-carboxamide

C17H21ClN4O — CID 122185590

IUPAC3-amino-6-(3-chloro-5-methylphenyl)-N-pentan-3-ylpyrazine-2-carboxamide
SMILESCCC(CC)NC(=O)c1nc(-c2cc(C)cc(Cl)c2)cnc1N
InChIInChI=1S/C17H21ClN4O/c1-4-13(5-2)21-17(23)15-16(19)20-9-14(22-15)11-6-10(3)7-12(18)8-11/h6-9,13H,4-5H2,1-3H3,(H2,19,20)(H,21,23)
InChIKeyRARSIADHIDPQOG-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.61
Rot. Bonds5

About 3-amino-6-(3-chloro-5-methylphenyl)-N-pentan-3-ylpyrazine-2-carboxamide

3-amino-6-(3-chloro-5-methylphenyl)-N-pentan-3-ylpyrazine-2-carboxamide (PubChem CID 122185590) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 3-amino-6-(3-chloro-5-methylphenyl)-N-pentan-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3-chloro-5-methylphenyl)-N-pentan-3-ylpyrazine-2-carboxamide
PubChem CID122185590
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name3-amino-6-(3-chloro-5-methylphenyl)-N-pentan-3-ylpyrazine-2-carboxamide
SMILESCCC(CC)NC(=O)c1nc(-c2cc(C)cc(Cl)c2)cnc1N
InChIInChI=1S/C17H21ClN4O/c1-4-13(5-2)21-17(23)15-16(19)20-9-14(22-15)11-6-10(3)7-12(18)8-11/h6-9,13H,4-5H2,1-3H3,(H2,19,20)(H,21,23)
InChIKeyRARSIADHIDPQOG-UHFFFAOYSA-N
XLogP3.61
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-chloro-5-methylphenyl)-N-pentan-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(3-chloro-5-methylphenyl)-N-pentan-3-ylpyrazine-2-carboxamide (CID 122185590) is 3-amino-6-(3-chloro-5-methylphenyl)-N-pentan-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3-chloro-5-methylphenyl)-N-pentan-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3-chloro-5-methylphenyl)-N-pentan-3-ylpyrazine-2-carboxamide is CCC(CC)NC(=O)c1nc(-c2cc(C)cc(Cl)c2)cnc1N.
What is the InChIKey of 3-amino-6-(3-chloro-5-methylphenyl)-N-pentan-3-ylpyrazine-2-carboxamide?
The InChIKey is RARSIADHIDPQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-4-13(5-2)21-17(23)15-16(19)20-9-14(22-15)11-6-10(3)7-12(18)8-11/h6-9,13H,4-5H2,1-3H3,(H2,19,20)(H,21,23).
What are the key properties of 3-amino-6-(3-chloro-5-methylphenyl)-N-pentan-3-ylpyrazine-2-carboxamide?
3-amino-6-(3-chloro-5-methylphenyl)-N-pentan-3-ylpyrazine-2-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-chloro-5-methylphenyl)-N-pentan-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 122185590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).