2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide

C18H22N4O3S — CID 110303537

IUPAC2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C18H22N4O3S/c1-21(2)17-16(6-5-11-19-17)18(23)20-14-7-9-15(10-8-14)22-12-3-4-13-26(22,24)25/h5-11H,3-4,12-13H2,1-2H3,(H,20,23)
InChIKeyQZAZLRMVUWMEEV-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.33
Rot. Bonds4

About 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide

2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 110303537) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID110303537
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C18H22N4O3S/c1-21(2)17-16(6-5-11-19-17)18(23)20-14-7-9-15(10-8-14)22-12-3-4-13-26(22,24)25/h5-11H,3-4,12-13H2,1-2H3,(H,20,23)
InChIKeyQZAZLRMVUWMEEV-UHFFFAOYSA-N
XLogP2.33
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(dimethylamino)-N-phenylpyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide (CID 110303537) is 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide is CN(C)c1ncccc1C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is QZAZLRMVUWMEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-21(2)17-16(6-5-11-19-17)18(23)20-14-7-9-15(10-8-14)22-12-3-4-13-26(22,24)25/h5-11H,3-4,12-13H2,1-2H3,(H,20,23).
What are the key properties of 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide?
2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 110303537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).