6-[2-(diethylamino)ethylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide

C17H27N3O2S — CID 92880168

IUPAC6-[2-(diethylamino)ethylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESCCN(CC)CCSc1ccc(C(=O)NC[C@H]2CCCO2)cn1
InChIInChI=1S/C17H27N3O2S/c1-3-20(4-2)9-11-23-16-8-7-14(12-18-16)17(21)19-13-15-6-5-10-22-15/h7-8,12,15H,3-6,9-11,13H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyXILXVKISEBCCDR-OAHLLOKOSA-N
MW337.49 g/mol
LogP2.42
Rot. Bonds9

About 6-[2-(diethylamino)ethylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide

6-[2-(diethylamino)ethylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 92880168) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(diethylamino)ethylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
PubChem CID92880168
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name6-[2-(diethylamino)ethylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESCCN(CC)CCSc1ccc(C(=O)NC[C@H]2CCCO2)cn1
InChIInChI=1S/C17H27N3O2S/c1-3-20(4-2)9-11-23-16-8-7-14(12-18-16)17(21)19-13-15-6-5-10-22-15/h7-8,12,15H,3-6,9-11,13H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyXILXVKISEBCCDR-OAHLLOKOSA-N
XLogP2.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(dipropylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153658
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153510
6-[benzyl(ethyl)amino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153623
N-(oxolan-2-ylmethyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681810
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
5-(dipropylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228799
6-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 724881
2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252451
6-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]sulfanyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 46388064
4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42827423

Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(diethylamino)ethylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide (CID 92880168) is 6-[2-(diethylamino)ethylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(diethylamino)ethylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(diethylamino)ethylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide is CCN(CC)CCSc1ccc(C(=O)NC[C@H]2CCCO2)cn1.
What is the InChIKey of 6-[2-(diethylamino)ethylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is XILXVKISEBCCDR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-3-20(4-2)9-11-23-16-8-7-14(12-18-16)17(21)19-13-15-6-5-10-22-15/h7-8,12,15H,3-6,9-11,13H2,1-2H3,(H,19,21)/t15-/m1/s1.
What are the key properties of 6-[2-(diethylamino)ethylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
6-[2-(diethylamino)ethylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 92880168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).