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

C15H14N2O3 — CID 47005050

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1COc2ccccc2O1)c1ccccn1
InChIInChI=1S/C15H14N2O3/c18-15(12-5-3-4-8-16-12)17-9-11-10-19-13-6-1-2-7-14(13)20-11/h1-8,11H,9-10H2,(H,17,18)
InChIKeyNFWCHBSUFPPVAL-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.65
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 47005050) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID47005050
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1COc2ccccc2O1)c1ccccn1
InChIInChI=1S/C15H14N2O3/c18-15(12-5-3-4-8-16-12)17-9-11-10-19-13-6-1-2-7-14(13)20-11/h1-8,11H,9-10H2,(H,17,18)
InChIKeyNFWCHBSUFPPVAL-UHFFFAOYSA-N
XLogP1.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] pyridine-2-carboxylate
CID 18171369
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N'-pyridin-2-yloxamide
CID 7097724
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 38220831
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid
CID 6931697
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-fluoropyridine-4-carboxamide
CID 61293120
3,5-dichloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 716345
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrimidin-2-amine
CID 3403878
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-propylpyridine-2-carboxamide
CID 94332608
N-[[1-[[(3S)-6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 54180480
4-tert-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 972513
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,5-dimethylbenzamide
CID 7758543

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide (CID 47005050) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide is O=C(NCC1COc2ccccc2O1)c1ccccn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is NFWCHBSUFPPVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(12-5-3-4-8-16-12)17-9-11-10-19-13-6-1-2-7-14(13)20-11/h1-8,11H,9-10H2,(H,17,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.65, 3 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-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 47005050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).