N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide

C19H14N2O3 — CID 75493566

IUPACN-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H14N2O3/c22-19(14-6-8-16-17(10-14)24-12-23-16)21-18-9-7-15(11-20-18)13-4-2-1-3-5-13/h1-11H,12H2,(H,20,21,22)
InChIKeyKSUOIGYXPBRQMU-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.73
Rot. Bonds3

About N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide

N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 75493566) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
PubChem CID75493566
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC NameN-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H14N2O3/c22-19(14-6-8-16-17(10-14)24-12-23-16)21-18-9-7-15(11-20-18)13-4-2-1-3-5-13/h1-11H,12H2,(H,20,21,22)
InChIKeyKSUOIGYXPBRQMU-UHFFFAOYSA-N
XLogP3.73
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 952845
N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 669665
N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide
CID 35532209
N-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 62354122
N-[5-(3-phenylpropylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113029836
N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113033223
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032271
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113028205
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 708628
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
CID 113036144
N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119494454
N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032826

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide (CID 75493566) is N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(-c2ccccc2)cn1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is KSUOIGYXPBRQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-19(14-6-8-16-17(10-14)24-12-23-16)21-18-9-7-15(11-20-18)13-4-2-1-3-5-13/h1-11H,12H2,(H,20,21,22).
What are the key properties of N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 75493566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).