3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide

C19H16N4O2 — CID 68651367

IUPAC3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1-c1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H16N4O2/c20-18(24)17-16(21-9-10-22-17)14-7-4-8-15(11-14)19(25)23-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,20,24)(H,23,25)
InChIKeySNFFNGVMZOOUTB-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.17
Rot. Bonds5

About 3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide

3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide (PubChem CID 68651367) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide
PubChem CID68651367
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1-c1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H16N4O2/c20-18(24)17-16(21-9-10-22-17)14-7-4-8-15(11-14)19(25)23-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,20,24)(H,23,25)
InChIKeySNFFNGVMZOOUTB-UHFFFAOYSA-N
XLogP2.17
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(4-carbamoylphenyl)benzamide
CID 117092674
3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
CID 68650248
3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide
CID 91597918
4-(3-aminopyrazin-2-yl)-N-benzylbenzamide
CID 118046170
3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide
CID 32916582
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide
CID 171673970
3-(aminomethyl)-6-[3-[(3-phenoxyphenyl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 91338091
3-[5-amino-6-[(Z)-N'-anilinocarbamimidoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 140507460
3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide
CID 68650987
3-(2-aminoethyl)-N-benzylbenzamide
CID 62591363
N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50847665

Frequently Asked Questions

What is the IUPAC name of 3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide (CID 68651367) is 3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide is NC(=O)c1nccnc1-c1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is SNFFNGVMZOOUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c20-18(24)17-16(21-9-10-22-17)14-7-4-8-15(11-14)19(25)23-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,20,24)(H,23,25).
What are the key properties of 3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide?
3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 68651367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).