6-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-N-methyl-2H-pyridine-1,4-dicarboxamide

C21H23ClN4O4 — CID 67122779

IUPAC6-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-N-methyl-2H-pyridine-1,4-dicarboxamide
SMILESCNC(=O)C1=CCN(C(N)=O)C(N2CCC3(CC2)CC(=O)c2cccc(Cl)c2O3)=C1
InChIInChI=1S/C21H23ClN4O4/c1-24-19(28)13-5-8-26(20(23)29)17(11-13)25-9-6-21(7-10-25)12-16(27)14-3-2-4-15(22)18(14)30-21/h2-5,11H,6-10,12H2,1H3,(H2,23,29)(H,24,28)
InChIKeyDDDPMFNNFMEHTO-UHFFFAOYSA-N
MW430.89 g/mol
LogP2.05
Rot. Bonds2

About 6-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-N-methyl-2H-pyridine-1,4-dicarboxamide

6-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-N-methyl-2H-pyridine-1,4-dicarboxamide (PubChem CID 67122779) has the molecular formula C21H23ClN4O4 and a molecular weight of 430.89 g/mol. Its IUPAC name is 6-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-N-methyl-2H-pyridine-1,4-dicarboxamide.

Molecular Properties

Compound Name6-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-N-methyl-2H-pyridine-1,4-dicarboxamide
PubChem CID67122779
Molecular FormulaC21H23ClN4O4
Molecular Weight430.89 g/mol
Exact Mass430.14
IUPAC Name6-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-N-methyl-2H-pyridine-1,4-dicarboxamide
SMILESCNC(=O)C1=CCN(C(N)=O)C(N2CCC3(CC2)CC(=O)c2cccc(Cl)c2O3)=C1
InChIInChI=1S/C21H23ClN4O4/c1-24-19(28)13-5-8-26(20(23)29)17(11-13)25-9-6-21(7-10-25)12-16(27)14-3-2-4-15(22)18(14)30-21/h2-5,11H,6-10,12H2,1H3,(H2,23,29)(H,24,28)
InChIKeyDDDPMFNNFMEHTO-UHFFFAOYSA-N
XLogP2.05
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-N-methyl-2H-pyridine-1,4-dicarboxamide?
The IUPAC name of 6-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-N-methyl-2H-pyridine-1,4-dicarboxamide (CID 67122779) is 6-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-N-methyl-2H-pyridine-1,4-dicarboxamide.
What is the SMILES notation for 6-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-N-methyl-2H-pyridine-1,4-dicarboxamide?
The canonical SMILES for 6-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-N-methyl-2H-pyridine-1,4-dicarboxamide is CNC(=O)C1=CCN(C(N)=O)C(N2CCC3(CC2)CC(=O)c2cccc(Cl)c2O3)=C1.
What is the InChIKey of 6-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-N-methyl-2H-pyridine-1,4-dicarboxamide?
The InChIKey is DDDPMFNNFMEHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4/c1-24-19(28)13-5-8-26(20(23)29)17(11-13)25-9-6-21(7-10-25)12-16(27)14-3-2-4-15(22)18(14)30-21/h2-5,11H,6-10,12H2,1H3,(H2,23,29)(H,24,28).
What are the key properties of 6-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-N-methyl-2H-pyridine-1,4-dicarboxamide?
6-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-N-methyl-2H-pyridine-1,4-dicarboxamide has a molecular weight of 430.89 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-N-methyl-2H-pyridine-1,4-dicarboxamide is sourced from PubChem (CID 67122779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).