6-(3-chlorophenyl)-5-(propylamino)pyrazine-2-carboxamide

C14H15ClN4O — CID 172865563

IUPAC6-(3-chlorophenyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1ncc(C(N)=O)nc1-c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN4O/c1-2-6-17-14-12(9-4-3-5-10(15)7-9)19-11(8-18-14)13(16)20/h3-5,7-8H,2,6H2,1H3,(H2,16,20)(H,17,18)
InChIKeyZYBIDMZISFSCSY-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.72
Rot. Bonds5

About 6-(3-chlorophenyl)-5-(propylamino)pyrazine-2-carboxamide

6-(3-chlorophenyl)-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 172865563) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-5-(propylamino)pyrazine-2-carboxamide
PubChem CID172865563
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name6-(3-chlorophenyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1ncc(C(N)=O)nc1-c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN4O/c1-2-6-17-14-12(9-4-3-5-10(15)7-9)19-11(8-18-14)13(16)20/h3-5,7-8H,2,6H2,1H3,(H2,16,20)(H,17,18)
InChIKeyZYBIDMZISFSCSY-UHFFFAOYSA-N
XLogP2.72
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-bromo-6-(3-chlorophenyl)pyrazine-2-carboxylate
CID 86682315
5-chloro-N-(3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 25176417
6-(4-chlorophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxylic acid
CID 67505304
5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66304892
2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
CID 119745197
[2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea
CID 142737984
3,5-dichloro-6-(3-fluorophenyl)-N-propylpyridin-2-amine
CID 102753089
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210
N'-[4-(3-chlorophenyl)-2-ethylpyrimidin-5-yl]propane-1,3-diamine
CID 117211767
5-cyano-6-(heptylamino)pyrazine-2-carboxamide
CID 52918028
2-(3-chlorophenyl)imidazo[1,2-a]pyrimidine-3,7-dicarboxamide
CID 123348623
6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 116533201

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-5-(propylamino)pyrazine-2-carboxamide (CID 172865563) is 6-(3-chlorophenyl)-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-5-(propylamino)pyrazine-2-carboxamide is CCCNc1ncc(C(N)=O)nc1-c1cccc(Cl)c1.
What is the InChIKey of 6-(3-chlorophenyl)-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is ZYBIDMZISFSCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-2-6-17-14-12(9-4-3-5-10(15)7-9)19-11(8-18-14)13(16)20/h3-5,7-8H,2,6H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of 6-(3-chlorophenyl)-5-(propylamino)pyrazine-2-carboxamide?
6-(3-chlorophenyl)-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 172865563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).