N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide

C14H12N2O3 — CID 719330

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccncc1
InChIInChI=1S/C14H12N2O3/c17-14(10-3-5-15-6-4-10)16-11-1-2-12-13(9-11)19-8-7-18-12/h1-6,9H,7-8H2,(H,16,17)
InChIKeyPMFSIRVUTASGSX-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.11
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide (PubChem CID 719330) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
PubChem CID719330
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccncc1
InChIInChI=1S/C14H12N2O3/c17-14(10-3-5-15-6-4-10)16-11-1-2-12-13(9-11)19-8-7-18-12/h1-6,9H,7-8H2,(H,16,17)
InChIKeyPMFSIRVUTASGSX-UHFFFAOYSA-N
XLogP2.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 2447227
N-(3-methoxyphenyl)nicotinamide
CID 668900
N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 961305
N-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)nicotinamide
CID 852868
N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide
CID 2471206
N-(3-isopropoxyphenyl)-4-(trifluoromethyl)nicotinamide
CID 2726832
N-(3-ethoxyphenyl)-4-(trifluoromethyl)nicotinamide
CID 2726853
2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)nicotinamide
CID 2815400
N-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-3-pyridinecarboxamide
CID 4132561
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridinylcarbonyl)hydrazono]butanamide
CID 9592021
N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide
CID 715260
N-(1,3-benzodioxol-5-yl)pyridine-4-carboxamide
CID 756817

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide (CID 719330) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccncc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide?
The InChIKey is PMFSIRVUTASGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-14(10-3-5-15-6-4-10)16-11-1-2-12-13(9-11)19-8-7-18-12/h1-6,9H,7-8H2,(H,16,17).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide is sourced from PubChem (CID 719330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).