(4S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C18H23N3O2S — CID 95756653

About (4S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

(4S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 95756653) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (4S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: (4S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
• PubChem CID: 95756653
• Molecular Formula: C18H23N3O2S
• Molecular Weight: 345.47 g/mol
• Exact Mass: 345.15
• IUPAC Name: (4S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
• SMILES: CC[C@H]1c2ccsc2CCN1C(=O)NCc1c(C)cc(C)[nH]c1=O
• InChI: InChI=1S/C18H23N3O2S/c1-4-15-13-6-8-24-16(13)5-7-21(15)18(23)19-10-14-11(2)9-12(3)20-17(14)22/h6,8-9,15H,4-5,7,10H2,1-3H3,(H,19,23)(H,20,22)/t15-/m0/s1
• InChIKey: DORXZKTVURQLJE-HNNXBMFYSA-N
• XLogP: 3.27
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.47
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?

The IUPAC name of (4S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 95756653) is (4S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

What is the SMILES notation for (4S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?

The canonical SMILES for (4S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CC[C@H]1c2ccsc2CCN1C(=O)NCc1c(C)cc(C)[nH]c1=O.

What is the InChIKey of (4S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?

The InChIKey is DORXZKTVURQLJE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-4-15-13-6-8-24-16(13)5-7-21(15)18(23)19-10-14-11(2)9-12(3)20-17(14)22/h6,8-9,15H,4-5,7,10H2,1-3H3,(H,19,23)(H,20,22)/t15-/m0/s1.

What are the key properties of (4S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?

(4S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 95756653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).