4-propoxy-N-pyrazin-2-ylbenzamide

C14H15N3O2 — CID 71727773

IUPAC4-propoxy-N-pyrazin-2-ylbenzamide
SMILESCCCOc1ccc(C(=O)Nc2cnccn2)cc1
InChIInChI=1S/C14H15N3O2/c1-2-9-19-12-5-3-11(4-6-12)14(18)17-13-10-15-7-8-16-13/h3-8,10H,2,9H2,1H3,(H,16,17,18)
InChIKeyMCXOPVZSCBGJIY-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.52
Rot. Bonds5

About 4-propoxy-N-pyrazin-2-ylbenzamide

4-propoxy-N-pyrazin-2-ylbenzamide (PubChem CID 71727773) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-propoxy-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name4-propoxy-N-pyrazin-2-ylbenzamide
PubChem CID71727773
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-propoxy-N-pyrazin-2-ylbenzamide
SMILESCCCOc1ccc(C(=O)Nc2cnccn2)cc1
InChIInChI=1S/C14H15N3O2/c1-2-9-19-12-5-3-11(4-6-12)14(18)17-13-10-15-7-8-16-13/h3-8,10H,2,9H2,1H3,(H,16,17,18)
InChIKeyMCXOPVZSCBGJIY-UHFFFAOYSA-N
XLogP2.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-pyrazin-2-ylbenzamide
CID 43422735
4-amino-N-pyrazin-2-ylbenzamide
CID 43616023
4-propoxy-N-(thiatriazol-5-yl)benzamide
CID 19114284
N-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide
CID 71727897
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
[(3aR,5R,6R,7aS)-5-hydroxy-6-(pyrazin-2-ylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(4-propoxyphenyl)methanone
CID 172668087
4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide
CID 4939588
4-butoxy-N-(1,2-oxazol-3-yl)benzamide
CID 25236391
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 46547921
6-fluoro-N-pyrazin-2-ylpyridine-3-carboxamide
CID 63971040
3-hydroxy-4-methyl-N-pyrazin-2-ylbenzamide
CID 43616193

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-pyrazin-2-ylbenzamide?
The IUPAC name of 4-propoxy-N-pyrazin-2-ylbenzamide (CID 71727773) is 4-propoxy-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 4-propoxy-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 4-propoxy-N-pyrazin-2-ylbenzamide is CCCOc1ccc(C(=O)Nc2cnccn2)cc1.
What is the InChIKey of 4-propoxy-N-pyrazin-2-ylbenzamide?
The InChIKey is MCXOPVZSCBGJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-9-19-12-5-3-11(4-6-12)14(18)17-13-10-15-7-8-16-13/h3-8,10H,2,9H2,1H3,(H,16,17,18).
What are the key properties of 4-propoxy-N-pyrazin-2-ylbenzamide?
4-propoxy-N-pyrazin-2-ylbenzamide has a molecular weight of 257.29 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 71727773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).