5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide

C15H19ClN2O2S — CID 97078581

IUPAC5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide
SMILESO=C(c1ccc(Cl)cn1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1
InChIInChI=1S/C15H19ClN2O2S/c16-11-3-4-14(17-8-11)15(19)18(12-5-7-21-10-12)9-13-2-1-6-20-13/h3-4,8,12-13H,1-2,5-7,9-10H2/t12-,13+/m1/s1
InChIKeyKVVWFGZCLHBATP-OLZOCXBDSA-N
MW326.85 g/mol
LogP2.86
Rot. Bonds4

About 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide

5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide (PubChem CID 97078581) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide
PubChem CID97078581
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide
SMILESO=C(c1ccc(Cl)cn1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1
InChIInChI=1S/C15H19ClN2O2S/c16-11-3-4-14(17-8-11)15(19)18(12-5-7-21-10-12)9-13-2-1-6-20-13/h3-4,8,12-13H,1-2,5-7,9-10H2/t12-,13+/m1/s1
InChIKeyKVVWFGZCLHBATP-OLZOCXBDSA-N
XLogP2.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 125153508
5-chloro-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625955
2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide
CID 95192653
5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide
CID 97313157
5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-3-carboxamide
CID 96562097
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]isoquinoline-1-carboxamide
CID 95326524
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
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide
CID 97008483
N-[[(2R)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-7-carboxamide
CID 97079734
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide
CID 97083953
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-indazole-3-carboxamide
CID 97083951

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide (CID 97078581) is 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide is O=C(c1ccc(Cl)cn1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1.
What is the InChIKey of 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide?
The InChIKey is KVVWFGZCLHBATP-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c16-11-3-4-14(17-8-11)15(19)18(12-5-7-21-10-12)9-13-2-1-6-20-13/h3-4,8,12-13H,1-2,5-7,9-10H2/t12-,13+/m1/s1.
What are the key properties of 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide?
5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide has a molecular weight of 326.85 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 97078581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).