2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide

C23H31N3O6 — CID 166196304

IUPAC2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide
SMILESO=C(NC1CCOC2(CCOC2)C1)c1cccc(C(=O)NC2CCOC3(CCOC3)C2)n1
InChIInChI=1S/C23H31N3O6/c27-20(24-16-4-8-31-22(12-16)6-10-29-14-22)18-2-1-3-19(26-18)21(28)25-17-5-9-32-23(13-17)7-11-30-15-23/h1-3,16-17H,4-15H2,(H,24,27)(H,25,28)
InChIKeyNGJABJXFNDXQEH-UHFFFAOYSA-N
MW445.52 g/mol
LogP1.22
Rot. Bonds4

About 2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide (PubChem CID 166196304) has the molecular formula C23H31N3O6 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide
PubChem CID166196304
Molecular FormulaC23H31N3O6
Molecular Weight445.52 g/mol
Exact Mass445.22
IUPAC Name2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide
SMILESO=C(NC1CCOC2(CCOC2)C1)c1cccc(C(=O)NC2CCOC3(CCOC3)C2)n1
InChIInChI=1S/C23H31N3O6/c27-20(24-16-4-8-31-22(12-16)6-10-29-14-22)18-2-1-3-19(26-18)21(28)25-17-5-9-32-23(13-17)7-11-30-15-23/h1-3,16-17H,4-15H2,(H,24,27)(H,25,28)
InChIKeyNGJABJXFNDXQEH-UHFFFAOYSA-N
XLogP1.22
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120695909
N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide
CID 124883194
2-[2-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)phenyl]sulfanylpropanoic acid
CID 120695926
1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea
CID 124887284
6-bromo-N-(2,2-dimethyloxan-4-yl)pyridine-2-carboxamide
CID 103890092
3-[[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]carbamoyl]-5-methylbenzoic acid
CID 129468061
1-(2,5-dimethylphenyl)-3-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]urea
CID 97255707
N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 97255662
2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 99929661
4-[(2,6-difluorophenyl)methyl]-N-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]piperidine-1-carboxamide
CID 129347551
1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea
CID 96579890
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide
CID 99972757

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide (CID 166196304) is 2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide is O=C(NC1CCOC2(CCOC2)C1)c1cccc(C(=O)NC2CCOC3(CCOC3)C2)n1.
What is the InChIKey of 2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide?
The InChIKey is NGJABJXFNDXQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O6/c27-20(24-16-4-8-31-22(12-16)6-10-29-14-22)18-2-1-3-19(26-18)21(28)25-17-5-9-32-23(13-17)7-11-30-15-23/h1-3,16-17H,4-15H2,(H,24,27)(H,25,28).
What are the key properties of 2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide has a molecular weight of 445.52 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 166196304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).