N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C22H28N4O3S — CID 51949947

IUPACN-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESC[C@@H]1CCCCN1Cc1ccccc1CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C22H28N4O3S/c1-17-6-4-5-11-25(17)15-19-8-3-2-7-18(19)14-23-22(27)20-9-10-21-24-30(28,29)13-12-26(21)16-20/h2-3,7-10,16-17H,4-6,11-15H2,1H3,(H,23,27)/t17-/m1/s1
InChIKeyLVBNCGQZPWWRLZ-QGZVFWFLSA-N
MW428.56 g/mol
LogP2.17
Rot. Bonds5

About N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 51949947) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID51949947
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC NameN-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESC[C@@H]1CCCCN1Cc1ccccc1CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C22H28N4O3S/c1-17-6-4-5-11-25(17)15-19-8-3-2-7-18(19)14-23-22(27)20-9-10-21-24-30(28,29)13-12-26(21)16-20/h2-3,7-10,16-17H,4-6,11-15H2,1H3,(H,23,27)/t17-/m1/s1
InChIKeyLVBNCGQZPWWRLZ-QGZVFWFLSA-N
XLogP2.17
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 46598218
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 56517617
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845332
N-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
CID 119630347
2,2-dioxo-N-prop-2-enyl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 9399692
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 55718070
2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845340
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112827458
2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845308
5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 78875791
4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564537

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 51949947) is N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is LVBNCGQZPWWRLZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28N4O3S/c1-17-6-4-5-11-25(17)15-19-8-3-2-7-18(19)14-23-22(27)20-9-10-21-24-30(28,29)13-12-26(21)16-20/h2-3,7-10,16-17H,4-6,11-15H2,1H3,(H,23,27)/t17-/m1/s1.
What are the key properties of N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 428.56 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 51949947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).