N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazine-2-carboxamide

C20H16N4O4 — CID 18077783

IUPACN-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1cnccn1
InChIInChI=1S/C20H16N4O4/c25-19(23-10-13-5-6-17-18(9-13)28-12-27-17)14-3-1-2-4-15(14)24-20(26)16-11-21-7-8-22-16/h1-9,11H,10,12H2,(H,23,25)(H,24,26)
InChIKeyFTUKHGBJEFUOHN-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.39
Rot. Bonds5

About N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazine-2-carboxamide

N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazine-2-carboxamide (PubChem CID 18077783) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazine-2-carboxamide
PubChem CID18077783
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC NameN-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1cnccn1
InChIInChI=1S/C20H16N4O4/c25-19(23-10-13-5-6-17-18(9-13)28-12-27-17)14-3-1-2-4-15(14)24-20(26)16-11-21-7-8-22-16/h1-9,11H,10,12H2,(H,23,25)(H,24,26)
InChIKeyFTUKHGBJEFUOHN-UHFFFAOYSA-N
XLogP2.39
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-methylpyridine-3-carboxamide
CID 17491605
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethylbenzoyl)amino]benzamide
CID 8873844
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-(trifluoromethyl)benzamide
CID 2456782
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 55388354
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methylbenzoyl)amino]benzamide
CID 8873849
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 24555312
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(1,3-benzodioxol-5-yl)prop-2-ynoylamino]benzamide
CID 71849757
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 55446764
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20955024
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyanobenzoyl)amino]benzamide
CID 8873816
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
2-(7-aminoheptanoylamino)-N-(1,3-benzodioxol-5-ylmethyl)benzamide
CID 119680351

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazine-2-carboxamide (CID 18077783) is N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazine-2-carboxamide is O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1cnccn1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is FTUKHGBJEFUOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c25-19(23-10-13-5-6-17-18(9-13)28-12-27-17)14-3-1-2-4-15(14)24-20(26)16-11-21-7-8-22-16/h1-9,11H,10,12H2,(H,23,25)(H,24,26).
What are the key properties of N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazine-2-carboxamide?
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 18077783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).