4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide

C21H24N4OS — CID 11952439

IUPAC4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
SMILESCCN(c1ncc(C(N)=O)c2sc(-c3ccccc3)cc12)[C@H]1CCCNC1
InChIInChI=1S/C21H24N4OS/c1-2-25(15-9-6-10-23-12-15)21-16-11-18(14-7-4-3-5-8-14)27-19(16)17(13-24-21)20(22)26/h3-5,7-8,11,13,15,23H,2,6,9-10,12H2,1H3,(H2,22,26)/t15-/m0/s1
InChIKeyWRRULJLHHSXDFQ-HNNXBMFYSA-N
MW380.52 g/mol
LogP3.64
Rot. Bonds5

About 4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide

4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide (PubChem CID 11952439) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
PubChem CID11952439
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
SMILESCCN(c1ncc(C(N)=O)c2sc(-c3ccccc3)cc12)[C@H]1CCCNC1
InChIInChI=1S/C21H24N4OS/c1-2-25(15-9-6-10-23-12-15)21-16-11-18(14-7-4-3-5-8-14)27-19(16)17(13-24-21)20(22)26/h3-5,7-8,11,13,15,23H,2,6,9-10,12H2,1H3,(H2,22,26)/t15-/m0/s1
InChIKeyWRRULJLHHSXDFQ-HNNXBMFYSA-N
XLogP3.64
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide (CID 11952439) is 4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide is CCN(c1ncc(C(N)=O)c2sc(-c3ccccc3)cc12)[C@H]1CCCNC1.
What is the InChIKey of 4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is WRRULJLHHSXDFQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-2-25(15-9-6-10-23-12-15)21-16-11-18(14-7-4-3-5-8-14)27-19(16)17(13-24-21)20(22)26/h3-5,7-8,11,13,15,23H,2,6,9-10,12H2,1H3,(H2,22,26)/t15-/m0/s1.
What are the key properties of 4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 380.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 11952439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).