N-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide

C18H13N3O3 — CID 110681883

IUPACN-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C18H13N3O3/c22-18(21-13-5-7-16-17(9-13)24-11-23-16)12-4-6-15(20-10-12)14-3-1-2-8-19-14/h1-10H,11H2,(H,21,22)
InChIKeyWNRDSJWBVKJXPV-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.12
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide (PubChem CID 110681883) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide
PubChem CID110681883
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C18H13N3O3/c22-18(21-13-5-7-16-17(9-13)24-11-23-16)12-4-6-15(20-10-12)14-3-1-2-8-19-14/h1-10H,11H2,(H,21,22)
InChIKeyWNRDSJWBVKJXPV-UHFFFAOYSA-N
XLogP3.12
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 53143107
2-anilino-N-(1,3-benzodioxol-5-yl)pyrimidine-5-carboxamide
CID 109265250
N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109164809
N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158270
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
N-(1,3-benzodioxol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 117086871
N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide
CID 2471203
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 27649831
N-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 17472215
N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113012694
N-naphthalen-2-yl-6-[5-(naphthalen-2-ylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 170421565
N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide
CID 109164518

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide (CID 110681883) is N-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccccn2)nc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide?
The InChIKey is WNRDSJWBVKJXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-18(21-13-5-7-16-17(9-13)24-11-23-16)12-4-6-15(20-10-12)14-3-1-2-8-19-14/h1-10H,11H2,(H,21,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-pyridin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 110681883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).