N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C21H20N4O5S — CID 55671970

IUPACN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCOc1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1OCc1ccncc1
InChIInChI=1S/C21H20N4O5S/c1-29-18-5-4-16(13-19(18)30-14-15-6-8-22-9-7-15)23-21(26)17-3-2-10-25-11-12-31(27,28)24-20(17)25/h2-10,13H,11-12,14H2,1H3,(H,23,26)
InChIKeyVGXCYVCWZXHCSZ-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.11
Rot. Bonds6

About N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 55671970) has the molecular formula C21H20N4O5S and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID55671970
Molecular FormulaC21H20N4O5S
Molecular Weight440.48 g/mol
Exact Mass440.12
IUPAC NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCOc1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1OCc1ccncc1
InChIInChI=1S/C21H20N4O5S/c1-29-18-5-4-16(13-19(18)30-14-15-6-8-22-9-7-15)23-21(26)17-3-2-10-25-11-12-31(27,28)24-20(17)25/h2-10,13H,11-12,14H2,1H3,(H,23,26)
InChIKeyVGXCYVCWZXHCSZ-UHFFFAOYSA-N
XLogP2.11
TPSA110.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide with MolForge

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Related Compounds

4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427791
3,5-dichloro-4-methoxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46448262
2-(4-chlorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 38628569
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]piperidine-3-carboxamide
CID 119848502
4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119848523
3-(dimethylamino)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427160
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 43068293
2-methoxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-nitrobenzamide
CID 46426545
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 33126560
N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 25432751
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 33126209

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 55671970) is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is COc1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1OCc1ccncc1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is VGXCYVCWZXHCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5S/c1-29-18-5-4-16(13-19(18)30-14-15-6-8-22-9-7-15)23-21(26)17-3-2-10-25-11-12-31(27,28)24-20(17)25/h2-10,13H,11-12,14H2,1H3,(H,23,26).
What are the key properties of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 55671970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).