2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide;dihydrochloride

C19H31Cl2N5O2S — CID 119448048

IUPAC2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCC(Sc1ncccc1C(=O)NCCN1CCNCC1)C(=O)N1CCCC1.Cl.Cl
InChIInChI=1S/C19H29N5O2S.2ClH/c1-15(19(26)24-10-2-3-11-24)27-18-16(5-4-6-22-18)17(25)21-9-14-23-12-7-20-8-13-23;;/h4-6,15,20H,2-3,7-14H2,1H3,(H,21,25);2*1H
InChIKeyGTAZMDFGVRQVRU-UHFFFAOYSA-N
MW464.46 g/mol
LogP1.66
Rot. Bonds7

About 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide;dihydrochloride

2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119448048) has the molecular formula C19H31Cl2N5O2S and a molecular weight of 464.46 g/mol. Its IUPAC name is 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID119448048
Molecular FormulaC19H31Cl2N5O2S
Molecular Weight464.46 g/mol
Exact Mass463.16
IUPAC Name2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCC(Sc1ncccc1C(=O)NCCN1CCNCC1)C(=O)N1CCCC1.Cl.Cl
InChIInChI=1S/C19H29N5O2S.2ClH/c1-15(19(26)24-10-2-3-11-24)27-18-16(5-4-6-22-18)17(25)21-9-14-23-12-7-20-8-13-23;;/h4-6,15,20H,2-3,7-14H2,1H3,(H,21,25);2*1H
InChIKeyGTAZMDFGVRQVRU-UHFFFAOYSA-N
XLogP1.66
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119452985
N-[(2S)-1-aminopropan-2-yl]-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide;dihydrochloride
CID 120507456
(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-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide
CID 120576283
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
2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 55211981
2-[[3-[4-(1-aminoethyl)piperidine-1-carbonyl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 119519814
2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 62874313
2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 119444821
N-(3-piperazin-1-ylpropyl)-2-propan-2-ylsulfanylbenzamide
CID 119393290
2-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447369

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide;dihydrochloride (CID 119448048) is 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide;dihydrochloride is CC(Sc1ncccc1C(=O)NCCN1CCNCC1)C(=O)N1CCCC1.Cl.Cl.
What is the InChIKey of 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is GTAZMDFGVRQVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2S.2ClH/c1-15(19(26)24-10-2-3-11-24)27-18-16(5-4-6-22-18)17(25)21-9-14-23-12-7-20-8-13-23;;/h4-6,15,20H,2-3,7-14H2,1H3,(H,21,25);2*1H.
What are the key properties of 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide;dihydrochloride?
2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 464.46 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119448048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).