2,2-dioxo-N-(6-piperidin-1-yl-3-pyridinyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C18H21N5O3S — CID 17450520

IUPAC2,2-dioxo-N-(6-piperidin-1-yl-3-pyridinyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)nc1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C18H21N5O3S/c24-18(14-4-6-17-21-27(25,26)11-10-23(17)13-14)20-15-5-7-16(19-12-15)22-8-2-1-3-9-22/h4-7,12-13H,1-3,8-11H2,(H,20,24)
InChIKeyCFBBJHDLYCMGFY-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.51
Rot. Bonds3

About 2,2-dioxo-N-(6-piperidin-1-yl-3-pyridinyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

2,2-dioxo-N-(6-piperidin-1-yl-3-pyridinyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 17450520) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 2,2-dioxo-N-(6-piperidin-1-yl-3-pyridinyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-N-(6-piperidin-1-yl-3-pyridinyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID17450520
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name2,2-dioxo-N-(6-piperidin-1-yl-3-pyridinyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)nc1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C18H21N5O3S/c24-18(14-4-6-17-21-27(25,26)11-10-23(17)13-14)20-15-5-7-16(19-12-15)22-8-2-1-3-9-22/h4-7,12-13H,1-3,8-11H2,(H,20,24)
InChIKeyCFBBJHDLYCMGFY-UHFFFAOYSA-N
XLogP1.51
TPSA94.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 25432751
2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid
CID 119171461
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 43704451
N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119515290
N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113015875
tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate
CID 113015925
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
N-(6-piperidin-1-yl-3-pyridinyl)-4-sulfamoylbenzamide
CID 55502246
N-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24601888
N-(1,4-dimethylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 47091580

Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-N-(6-piperidin-1-yl-3-pyridinyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of 2,2-dioxo-N-(6-piperidin-1-yl-3-pyridinyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 17450520) is 2,2-dioxo-N-(6-piperidin-1-yl-3-pyridinyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for 2,2-dioxo-N-(6-piperidin-1-yl-3-pyridinyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for 2,2-dioxo-N-(6-piperidin-1-yl-3-pyridinyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is O=C(Nc1ccc(N2CCCCC2)nc1)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of 2,2-dioxo-N-(6-piperidin-1-yl-3-pyridinyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is CFBBJHDLYCMGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c24-18(14-4-6-17-21-27(25,26)11-10-23(17)13-14)20-15-5-7-16(19-12-15)22-8-2-1-3-9-22/h4-7,12-13H,1-3,8-11H2,(H,20,24).
What are the key properties of 2,2-dioxo-N-(6-piperidin-1-yl-3-pyridinyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
2,2-dioxo-N-(6-piperidin-1-yl-3-pyridinyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-N-(6-piperidin-1-yl-3-pyridinyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 17450520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).