5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide

C12H18N4OS — CID 114408099

IUPAC5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide
SMILESCC1(C)CN(c2nc(C(N)=O)ccc2N)CCS1
InChIInChI=1S/C12H18N4OS/c1-12(2)7-16(5-6-18-12)11-8(13)3-4-9(15-11)10(14)17/h3-4H,5-7,13H2,1-2H3,(H2,14,17)
InChIKeyRUIYDEBLYJQOQU-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.09
Rot. Bonds2

About 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide

5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide (PubChem CID 114408099) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide
PubChem CID114408099
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide
SMILESCC1(C)CN(c2nc(C(N)=O)ccc2N)CCS1
InChIInChI=1S/C12H18N4OS/c1-12(2)7-16(5-6-18-12)11-8(13)3-4-9(15-11)10(14)17/h3-4H,5-7,13H2,1-2H3,(H2,14,17)
InChIKeyRUIYDEBLYJQOQU-UHFFFAOYSA-N
XLogP1.09
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methyl-3-oxopiperazin-1-yl)-N-(2-sulfanylethyl)pyridine-2-carboxamide
CID 177680426
N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-sulfanylpropanamide
CID 177680976
N-methyl-6-[2-(3-methylpiperidin-1-yl)ethylamino]pyridine-2-carboxamide
CID 71862484
6-Amino-N-[2-(2-oxopiperidin-1-YL)ethyl]pyridine-2-carboxamide
CID 91789503
N-methyl-6-[(3S)-3-(2-methylpropanoylamino)piperidin-1-yl]pyridine-2-carboxamide
CID 97596258
6-{[2-(4-Ethylpiperazin-1-YL)-2-methylpropyl]amino}pyridine-2-carboxamide
CID 122558859
N-Methyl-6-[({1-[(4-methylpiperazin-1-YL)methyl]cyclopropyl}methyl)amino]pyridine-2-carboxamide
CID 124216466
6-[[(2R)-2-(dimethylamino)-3-methylbutyl]amino]-N,N-dimethylpyridine-2-carboxamide
CID 125525529
6-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 132410768
N-(3-fluoropropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 143843732
6-[4-(4-Fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173099455
2-(1-Ethylureido)-6-acetyl-aminopyridine
CID 129696015

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide (CID 114408099) is 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide is CC1(C)CN(c2nc(C(N)=O)ccc2N)CCS1.
What is the InChIKey of 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide?
The InChIKey is RUIYDEBLYJQOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-12(2)7-16(5-6-18-12)11-8(13)3-4-9(15-11)10(14)17/h3-4H,5-7,13H2,1-2H3,(H2,14,17).
What are the key properties of 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide?
5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 114408099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).