N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

C16H17N3O2S — CID 20920699

IUPACN-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCSc3ncccc32)c1
InChIInChI=1S/C16H17N3O2S/c1-21-13-5-2-4-12(10-13)11-18-16(20)19-8-9-22-15-14(19)6-3-7-17-15/h2-7,10H,8-9,11H2,1H3,(H,18,20)
InChIKeyFOKKDIPNAHOTRL-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.91
Rot. Bonds3

About N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 20920699) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID20920699
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCSc3ncccc32)c1
InChIInChI=1S/C16H17N3O2S/c1-21-13-5-2-4-12(10-13)11-18-16(20)19-8-9-22-15-14(19)6-3-7-17-15/h2-7,10H,8-9,11H2,1H3,(H,18,20)
InChIKeyFOKKDIPNAHOTRL-UHFFFAOYSA-N
XLogP2.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(3-methoxyphenyl)methyl]-4-oxobutanamide
CID 46279562
2-[(3-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615083
4-acetyl-N-[(3-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 22549966
4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 155749578
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460
(3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide
CID 174195949
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydroindole-1-carboxamide
CID 47032081
1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61208248
3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
CID 51076753
3-[(3-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62709440
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 20920699) is N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is COc1cccc(CNC(=O)N2CCSc3ncccc32)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is FOKKDIPNAHOTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-21-13-5-2-4-12(10-13)11-18-16(20)19-8-9-22-15-14(19)6-3-7-17-15/h2-7,10H,8-9,11H2,1H3,(H,18,20).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 20920699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).