N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-piperidin-1-ylthieno[3,2-b]pyridine-2-carboxamide

C24H28N4O2S — CID 155138383

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-piperidin-1-ylthieno[3,2-b]pyridine-2-carboxamide

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-piperidin-1-ylthieno[3,2-b]pyridine-2-carboxamide (PubChem CID 155138383) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-piperidin-1-ylthieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-piperidin-1-ylthieno[3,2-b]pyridine-2-carboxamide
• PubChem CID: 155138383
• Molecular Formula: C24H28N4O2S
• Molecular Weight: 436.58 g/mol
• Exact Mass: 436.19
• IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-piperidin-1-ylthieno[3,2-b]pyridine-2-carboxamide
• SMILES: CN(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(N3CCCCC3)ccnc12
• InChI: InChI=1S/C24H28N4O2S/c1-27(2)21-20-22(18(10-12-25-20)28-13-6-3-7-14-28)31-23(21)24(29)26-17-11-15-30-19-9-5-4-8-16(17)19/h4-5,8-10,12,17H,3,6-7,11,13-15H2,1-2H3,(H,26,29)/t17-/m0/s1
• InChIKey: HFCBUDQYLSTUFR-KRWDZBQOSA-N
• XLogP: 4.61
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.58
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-piperidin-1-ylthieno[3,2-b]pyridine-2-carboxamide?

The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-piperidin-1-ylthieno[3,2-b]pyridine-2-carboxamide (CID 155138383) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-piperidin-1-ylthieno[3,2-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-piperidin-1-ylthieno[3,2-b]pyridine-2-carboxamide?

The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-piperidin-1-ylthieno[3,2-b]pyridine-2-carboxamide is CN(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(N3CCCCC3)ccnc12.

What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-piperidin-1-ylthieno[3,2-b]pyridine-2-carboxamide?

The InChIKey is HFCBUDQYLSTUFR-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-27(2)21-20-22(18(10-12-25-20)28-13-6-3-7-14-28)31-23(21)24(29)26-17-11-15-30-19-9-5-4-8-16(17)19/h4-5,8-10,12,17H,3,6-7,11,13-15H2,1-2H3,(H,26,29)/t17-/m0/s1.

What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-piperidin-1-ylthieno[3,2-b]pyridine-2-carboxamide?

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-piperidin-1-ylthieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-piperidin-1-ylthieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 155138383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).