5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide

C15H19ClN2O3S — CID 97313157

IUPAC5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N(C[C@H]1CCCO1)[C@@H]1CCSC1
InChIInChI=1S/C15H19ClN2O3S/c16-13-6-10(7-17-14(13)19)15(20)18(11-3-5-22-9-11)8-12-2-1-4-21-12/h6-7,11-12H,1-5,8-9H2,(H,17,19)/t11-,12-/m1/s1
InChIKeyJWCPRTLFMPBHLZ-VXGBXAGGSA-N
MW342.85 g/mol
LogP2.15
Rot. Bonds4

About 5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide

5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide (PubChem CID 97313157) has the molecular formula C15H19ClN2O3S and a molecular weight of 342.85 g/mol. Its IUPAC name is 5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide
PubChem CID97313157
Molecular FormulaC15H19ClN2O3S
Molecular Weight342.85 g/mol
Exact Mass342.08
IUPAC Name5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N(C[C@H]1CCCO1)[C@@H]1CCSC1
InChIInChI=1S/C15H19ClN2O3S/c16-13-6-10(7-17-14(13)19)15(20)18(11-3-5-22-9-11)8-12-2-1-4-21-12/h6-7,11-12H,1-5,8-9H2,(H,17,19)/t11-,12-/m1/s1
InChIKeyJWCPRTLFMPBHLZ-VXGBXAGGSA-N
XLogP2.15
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide
CID 97078581
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyrrole-2-carboxamide
CID 97067533
5-chloro-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625955
5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-3-carboxamide
CID 96562097
5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 125153508
2-amino-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 60944233
N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide
CID 95376670
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide
CID 97008483
N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-N-[(3S)-thiolan-3-yl]-3H-1,3-benzoxazole-6-carboxamide
CID 95907854
6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide
CID 55613399
5-bromo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furan-2-carboxamide
CID 55613442
N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide
CID 61029247

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide (CID 97313157) is 5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide is O=C(c1c[nH]c(=O)c(Cl)c1)N(C[C@H]1CCCO1)[C@@H]1CCSC1.
What is the InChIKey of 5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide?
The InChIKey is JWCPRTLFMPBHLZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H19ClN2O3S/c16-13-6-10(7-17-14(13)19)15(20)18(11-3-5-22-9-11)8-12-2-1-4-21-12/h6-7,11-12H,1-5,8-9H2,(H,17,19)/t11-,12-/m1/s1.
What are the key properties of 5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide?
5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide has a molecular weight of 342.85 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 97313157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).