N-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide

C21H18N2O3 — CID 110426267

IUPACN-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C21H18N2O3/c24-21(23-17-9-10-19-20(13-17)26-14-25-19)18(15-6-2-1-3-7-15)12-16-8-4-5-11-22-16/h1-11,13,18H,12,14H2,(H,23,24)
InChIKeyNBHONQOWCQCRRM-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.78
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide

N-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide (PubChem CID 110426267) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide
PubChem CID110426267
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C21H18N2O3/c24-21(23-17-9-10-19-20(13-17)26-14-25-19)18(15-6-2-1-3-7-15)12-16-8-4-5-11-22-16/h1-11,13,18H,12,14H2,(H,23,24)
InChIKeyNBHONQOWCQCRRM-UHFFFAOYSA-N
XLogP3.78
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110614697
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110608109
(2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide
CID 93239229
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide
CID 51866041
(2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide
CID 8700986
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3,3-diphenylpropanoate
CID 7795335
2-phenyl-3-pyridin-2-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 110628941
N-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151548
N-(1,3-benzodioxol-5-yl)-3-phenyl-2-sulfanylpropanamide
CID 107021832
(2R)-N-(1,3-benzodioxol-5-yl)-2-(dibenzylamino)-2-phenylacetamide
CID 94233315
N-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212927
N-(3-chlorophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296356

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide (CID 110426267) is N-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide is O=C(Nc1ccc2c(c1)OCO2)C(Cc1ccccn1)c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide?
The InChIKey is NBHONQOWCQCRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-21(23-17-9-10-19-20(13-17)26-14-25-19)18(15-6-2-1-3-7-15)12-16-8-4-5-11-22-16/h1-11,13,18H,12,14H2,(H,23,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide?
N-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide has a molecular weight of 346.39 g/mol, XLogP of 3.78, 5 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)-2-phenyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 110426267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).