6-oxo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide

C15H20N4O3S — CID 69240735

IUPAC6-oxo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1CN[C@H](C(=O)N2CCSC2)C1)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H20N4O3S/c20-13-2-1-11(8-17-13)14(21)18-7-10-5-12(16-6-10)15(22)19-3-4-23-9-19/h1-2,8,10,12,16H,3-7,9H2,(H,17,20)(H,18,21)/t10-,12-/m0/s1
InChIKeyQVJGVTLJOPHROL-JQWIXIFHSA-N
MW336.42 g/mol
LogP-0.38
Rot. Bonds4

About 6-oxo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide

6-oxo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 69240735) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 6-oxo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
PubChem CID69240735
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name6-oxo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1CN[C@H](C(=O)N2CCSC2)C1)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H20N4O3S/c20-13-2-1-11(8-17-13)14(21)18-7-10-5-12(16-6-10)15(22)19-3-4-23-9-19/h1-2,8,10,12,16H,3-7,9H2,(H,17,20)(H,18,21)/t10-,12-/m0/s1
InChIKeyQVJGVTLJOPHROL-JQWIXIFHSA-N
XLogP-0.38
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide (CID 69240735) is 6-oxo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide is O=C(NC[C@@H]1CN[C@H](C(=O)N2CCSC2)C1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is QVJGVTLJOPHROL-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H20N4O3S/c20-13-2-1-11(8-17-13)14(21)18-7-10-5-12(16-6-10)15(22)19-3-4-23-9-19/h1-2,8,10,12,16H,3-7,9H2,(H,17,20)(H,18,21)/t10-,12-/m0/s1.
What are the key properties of 6-oxo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 336.42 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 69240735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).