N-(2-methylpiperidin-3-yl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide

C19H28N4O2S — CID 120576283

IUPACN-(2-methylpiperidin-3-yl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide
SMILESCC(Sc1ncccc1C(=O)NC1CCCNC1C)C(=O)N1CCCC1
InChIInChI=1S/C19H28N4O2S/c1-13-16(8-6-9-20-13)22-17(24)15-7-5-10-21-18(15)26-14(2)19(25)23-11-3-4-12-23/h5,7,10,13-14,16,20H,3-4,6,8-9,11-12H2,1-2H3,(H,22,24)
InChIKeySEQVHSDBELHODY-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.05
Rot. Bonds5

About N-(2-methylpiperidin-3-yl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide

N-(2-methylpiperidin-3-yl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide (PubChem CID 120576283) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide
PubChem CID120576283
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC NameN-(2-methylpiperidin-3-yl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide
SMILESCC(Sc1ncccc1C(=O)NC1CCCNC1C)C(=O)N1CCCC1
InChIInChI=1S/C19H28N4O2S/c1-13-16(8-6-9-20-13)22-17(24)15-7-5-10-21-18(15)26-14(2)19(25)23-11-3-4-12-23/h5,7,10,13-14,16,20H,3-4,6,8-9,11-12H2,1-2H3,(H,22,24)
InChIKeySEQVHSDBELHODY-UHFFFAOYSA-N
XLogP2.05
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119452985
(2S)-2-[[2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carbonyl]amino]propanoic acid
CID 119943356
N-(2-methylpiperidin-3-yl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 120577474
N-(2-methylpiperidin-3-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide;dihydrochloride
CID 120576232
N-[(2S)-1-aminopropan-2-yl]-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide;dihydrochloride
CID 120507456
2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119448048
2-[[3-[4-(1-aminoethyl)piperidine-1-carbonyl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 119519814
2-[[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 119638215
N-[4-(imidazol-1-ylmethyl)phenyl]-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide
CID 86880663
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 120573924
6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide
CID 120576271

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide (CID 120576283) is N-(2-methylpiperidin-3-yl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide is CC(Sc1ncccc1C(=O)NC1CCCNC1C)C(=O)N1CCCC1.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide?
The InChIKey is SEQVHSDBELHODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-13-16(8-6-9-20-13)22-17(24)15-7-5-10-21-18(15)26-14(2)19(25)23-11-3-4-12-23/h5,7,10,13-14,16,20H,3-4,6,8-9,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-(2-methylpiperidin-3-yl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide?
N-(2-methylpiperidin-3-yl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide has a molecular weight of 376.53 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 120576283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).