N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)pyridine-4-carboxamide

C18H18N2O3 — CID 110399944

IUPACN-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCCc2cc3c(cc21)OCCO3)c1ccncc1
InChIInChI=1S/C18H18N2O3/c21-18(12-4-6-19-7-5-12)20-15-3-1-2-13-10-16-17(11-14(13)15)23-9-8-22-16/h4-7,10-11,15H,1-3,8-9H2,(H,20,21)
InChIKeyOJZBYZMVQJUGDB-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.66
Rot. Bonds2

About N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)pyridine-4-carboxamide

N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)pyridine-4-carboxamide (PubChem CID 110399944) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)pyridine-4-carboxamide
PubChem CID110399944
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCCc2cc3c(cc21)OCCO3)c1ccncc1
InChIInChI=1S/C18H18N2O3/c21-18(12-4-6-19-7-5-12)20-15-3-1-2-13-10-16-17(11-14(13)15)23-9-8-22-16/h4-7,10-11,15H,1-3,8-9H2,(H,20,21)
InChIKeyOJZBYZMVQJUGDB-UHFFFAOYSA-N
XLogP2.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)pyridine-4-carboxamide with MolForge

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine
CID 62735808
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 86923838
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 94145039
N-(3,4-dihydro-2H-chromen-6-yl)pyridine-4-carboxamide
CID 110726182
2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide
CID 97199538
5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777520
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide
CID 3058670
N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 97256231
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide
CID 56731433
2-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 32694198
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide
CID 17479306

Frequently Asked Questions

What is the IUPAC name of N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)pyridine-4-carboxamide (CID 110399944) is N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)pyridine-4-carboxamide is O=C(NC1CCCc2cc3c(cc21)OCCO3)c1ccncc1.
What is the InChIKey of N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)pyridine-4-carboxamide?
The InChIKey is OJZBYZMVQJUGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-18(12-4-6-19-7-5-12)20-15-3-1-2-13-10-16-17(11-14(13)15)23-9-8-22-16/h4-7,10-11,15H,1-3,8-9H2,(H,20,21).
What are the key properties of N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)pyridine-4-carboxamide?
N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)pyridine-4-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)pyridine-4-carboxamide is sourced from PubChem (CID 110399944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).