2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

C₁₉H₂₁N₅O₂S — CID 52949739

About 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 52949739) has the molecular formula C₁₉H₂₁N₅O₂S and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
• PubChem CID: 52949739
• Molecular Formula: C₁₉H₂₁N₅O₂S
• Molecular Weight: 383.48 g/mol
• Exact Mass: 383.14
• IUPAC Name: 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
• SMILES: COc1ccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)cn1
• InChI: InChI=1S/C19H21N5O2S/c1-26-16-5-4-11(8-22-16)15-7-13-17(27-15)14(18(20)25)10-23-19(13)24-12-3-2-6-21-9-12/h4-5,7-8,10,12,21H,2-3,6,9H2,1H3,(H2,20,25)(H,23,24)/t12-/m0/s1
• InChIKey: OQLWIFUGUHGCFO-LBPRGKRZSA-N
• XLogP: 2.63
• TPSA: 102.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.48
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?

The IUPAC name of 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (CID 52949739) is 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?

The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is COc1ccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)cn1.

What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?

The InChIKey is OQLWIFUGUHGCFO-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-26-16-5-4-11(8-22-16)15-7-13-17(27-15)14(18(20)25)10-23-19(13)24-12-3-2-6-21-9-12/h4-5,7-8,10,12,21H,2-3,6,9H2,1H3,(H2,20,25)(H,23,24)/t12-/m0/s1.

What are the key properties of 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?

2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 52949739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 52949739 — identifiers, structure, computed properties (public domain)

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