N-[(1R)-1-cyclopropylpropyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C22H29N3OS — CID 126437094

About N-[(1R)-1-cyclopropylpropyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

N-[(1R)-1-cyclopropylpropyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 126437094) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylpropyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-cyclopropylpropyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 126437094
• Molecular Formula: C22H29N3OS
• Molecular Weight: 383.56 g/mol
• Exact Mass: 383.20
• IUPAC Name: N-[(1R)-1-cyclopropylpropyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCc1ccc(CN2CCc3c(C(=O)N[C@H](CC)C4CC4)csc3C2)nc1
• InChI: InChI=1S/C22H29N3OS/c1-3-15-5-8-17(23-11-15)12-25-10-9-18-19(14-27-21(18)13-25)22(26)24-20(4-2)16-6-7-16/h5,8,11,14,16,20H,3-4,6-7,9-10,12-13H2,1-2H3,(H,24,26)/t20-/m1/s1
• InChIKey: GCCXPBWUDDCMPI-HXUWFJFHSA-N
• XLogP: 4.18
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.56
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylpropyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of N-[(1R)-1-cyclopropylpropyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 126437094) is N-[(1R)-1-cyclopropylpropyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-[(1R)-1-cyclopropylpropyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-[(1R)-1-cyclopropylpropyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCc1ccc(CN2CCc3c(C(=O)N[C@H](CC)C4CC4)csc3C2)nc1.

What is the InChIKey of N-[(1R)-1-cyclopropylpropyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is GCCXPBWUDDCMPI-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29N3OS/c1-3-15-5-8-17(23-11-15)12-25-10-9-18-19(14-27-21(18)13-25)22(26)24-20(4-2)16-6-7-16/h5,8,11,14,16,20H,3-4,6-7,9-10,12-13H2,1-2H3,(H,24,26)/t20-/m1/s1.

What are the key properties of N-[(1R)-1-cyclopropylpropyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

N-[(1R)-1-cyclopropylpropyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 383.56 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-cyclopropylpropyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 126437094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).