N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide

C18H23N5O2 — CID 109287947

IUPACN-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cnc(NCCC(C)C)cn2)c1
InChIInChI=1S/C18H23N5O2/c1-12(2)7-8-19-17-11-20-16(10-21-17)18(25)23-15-6-4-5-14(9-15)22-13(3)24/h4-6,9-12H,7-8H2,1-3H3,(H,19,21)(H,22,24)(H,23,25)
InChIKeyXILCSCNZGVSKKM-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.15
Rot. Bonds7

About N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide

N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide (PubChem CID 109287947) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
PubChem CID109287947
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cnc(NCCC(C)C)cn2)c1
InChIInChI=1S/C18H23N5O2/c1-12(2)7-8-19-17-11-20-16(10-21-17)18(25)23-15-6-4-5-14(9-15)22-13(3)24/h4-6,9-12H,7-8H2,1-3H3,(H,19,21)(H,22,24)(H,23,25)
InChIKeyXILCSCNZGVSKKM-UHFFFAOYSA-N
XLogP3.15
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[5-(3-methylbutylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287950
N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide
CID 109272675
N-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846543
N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
CID 109287912
N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195666
5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109287893
5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109287909
N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195700
N-(3-acetylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283988
5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287829
5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290066
N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109288125

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide (CID 109287947) is N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cnc(NCCC(C)C)cn2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide?
The InChIKey is XILCSCNZGVSKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12(2)7-8-19-17-11-20-16(10-21-17)18(25)23-15-6-4-5-14(9-15)22-13(3)24/h4-6,9-12H,7-8H2,1-3H3,(H,19,21)(H,22,24)(H,23,25).
What are the key properties of N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide?
N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109287947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).