N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide

C15H14N2O3 — CID 110468454

IUPACN-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O3/c18-15(4-1-11-5-7-16-8-6-11)17-12-2-3-13-14(9-12)20-10-19-13/h2-3,5-9H,1,4,10H2,(H,17,18)
InChIKeyZHUMKWLZUJFCKT-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.38
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide

N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide (PubChem CID 110468454) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
PubChem CID110468454
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O3/c18-15(4-1-11-5-7-16-8-6-11)17-12-2-3-13-14(9-12)20-10-19-13/h2-3,5-9H,1,4,10H2,(H,17,18)
InChIKeyZHUMKWLZUJFCKT-UHFFFAOYSA-N
XLogP2.38
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
3-(4-aminophenyl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 28713210
N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999711
N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide
CID 27648509
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide
CID 110370617
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-3-phenylpropanamide
CID 113050236
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-(4-methoxyphenyl)propanamide
CID 110370645
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-yl)propanamide
CID 17473344
N-(1,3-benzodioxol-5-yl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2200896
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 24641729
N-(1,3-benzodioxol-5-yl)-N'-(1,3-thiazol-2-yl)butanediamide
CID 23818664

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide (CID 110468454) is N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide is O=C(CCc1ccncc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide?
The InChIKey is ZHUMKWLZUJFCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(4-1-11-5-7-16-8-6-11)17-12-2-3-13-14(9-12)20-10-19-13/h2-3,5-9H,1,4,10H2,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide?
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide has a molecular weight of 270.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 110468454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).