3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-4-ylpropanamide

C16H16N2O3 — CID 7392836

IUPAC3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-4-ylpropanamide
SMILESO=C(CC[C@H]1COc2ccccc2O1)Nc1ccncc1
InChIInChI=1S/C16H16N2O3/c19-16(18-12-7-9-17-10-8-12)6-5-13-11-20-14-3-1-2-4-15(14)21-13/h1-4,7-10,13H,5-6,11H2,(H,17,18,19)/t13-/m0/s1
InChIKeyYPQBAJCJWSTGEH-ZDUSSCGKSA-N
MW284.31 g/mol
LogP2.64
Rot. Bonds4

About 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-4-ylpropanamide

3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-4-ylpropanamide (PubChem CID 7392836) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-4-ylpropanamide
PubChem CID7392836
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-4-ylpropanamide
SMILESO=C(CC[C@H]1COc2ccccc2O1)Nc1ccncc1
InChIInChI=1S/C16H16N2O3/c19-16(18-12-7-9-17-10-8-12)6-5-13-11-20-14-3-1-2-4-15(14)21-13/h1-4,7-10,13H,5-6,11H2,(H,17,18,19)/t13-/m0/s1
InChIKeyYPQBAJCJWSTGEH-ZDUSSCGKSA-N
XLogP2.64
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide
CID 27378887
N-[4-[3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]propanoylamino]phenyl]-2-fluorobenzamide
CID 1251107
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 1251106
N-(4-bromophenyl)-2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetamide
CID 845205
N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 90622617
4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]butanamide
CID 90622542
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide
CID 969642
5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 70297166
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 974800
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea
CID 4738249
N-[4-(pyridin-4-ylmethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 133185346
N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-5-phenylpentanamide
CID 90622730

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-4-ylpropanamide (CID 7392836) is 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-4-ylpropanamide is O=C(CC[C@H]1COc2ccccc2O1)Nc1ccncc1.
What is the InChIKey of 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-4-ylpropanamide?
The InChIKey is YPQBAJCJWSTGEH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-16(18-12-7-9-17-10-8-12)6-5-13-11-20-14-3-1-2-4-15(14)21-13/h1-4,7-10,13H,5-6,11H2,(H,17,18,19)/t13-/m0/s1.
What are the key properties of 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-4-ylpropanamide?
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-4-ylpropanamide has a molecular weight of 284.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 7392836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).