3-amino-N-[(3R)-7-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C25H30N4O3S — CID 167224919

About 3-amino-N-[(3R)-7-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-7-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167224919) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(3R)-7-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 167224919
• Molecular Formula: C25H30N4O3S
• Molecular Weight: 466.61 g/mol
• Exact Mass: 466.20
• IUPAC Name: 3-amino-N-[(3R)-7-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: CCOC[C@@H]1CCN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C1
• InChI: InChI=1S/C25H30N4O3S/c1-3-31-13-16-8-9-29(12-16)19-6-5-17-10-18(14-32-21(17)11-19)28-24(30)23-22(26)20-7-4-15(2)27-25(20)33-23/h4-7,11,16,18H,3,8-10,12-14,26H2,1-2H3,(H,28,30)/t16-,18-/m1/s1
• InChIKey: NDYMZUIYMFRRQH-SJLPKXTDSA-N
• XLogP: 3.78
• TPSA: 89.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.61
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[(3R)-7-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 167224919) is 3-amino-N-[(3R)-7-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(3R)-7-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[(3R)-7-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is CCOC[C@@H]1CCN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C1.

What is the InChIKey of 3-amino-N-[(3R)-7-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is NDYMZUIYMFRRQH-SJLPKXTDSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-3-31-13-16-8-9-29(12-16)19-6-5-17-10-18(14-32-21(17)11-19)28-24(30)23-22(26)20-7-4-15(2)27-25(20)33-23/h4-7,11,16,18H,3,8-10,12-14,26H2,1-2H3,(H,28,30)/t16-,18-/m1/s1.

What are the key properties of 3-amino-N-[(3R)-7-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[(3R)-7-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(3R)-7-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167224919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).