2-[[6-[2-(dimethylamino)ethoxymethyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide

C24H29FN4O3S — CID 68741986

About 2-[[6-[2-(dimethylamino)ethoxymethyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide

2-[[6-[2-(dimethylamino)ethoxymethyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide (PubChem CID 68741986) has the molecular formula C24H29FN4O3S and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[[6-[2-(dimethylamino)ethoxymethyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 2-[[6-[2-(dimethylamino)ethoxymethyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
• PubChem CID: 68741986
• Molecular Formula: C24H29FN4O3S
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.19
• IUPAC Name: 2-[[6-[2-(dimethylamino)ethoxymethyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
• SMILES: CC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(COCCN(C)C)n3)s2)c(F)c1
• InChI: InChI=1S/C24H29FN4O3S/c1-15(13-30)16-7-8-18(20(25)11-16)21-12-19(23(26)31)24(33-21)28-22-6-4-5-17(27-22)14-32-10-9-29(2)3/h4-8,11-12,15,30H,9-10,13-14H2,1-3H3,(H2,26,31)(H,27,28)
• InChIKey: KECJGQFJQVFPSC-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 100.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-(dimethylamino)ethoxymethyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?

The IUPAC name of 2-[[6-[2-(dimethylamino)ethoxymethyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide (CID 68741986) is 2-[[6-[2-(dimethylamino)ethoxymethyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide.

What is the SMILES notation for 2-[[6-[2-(dimethylamino)ethoxymethyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?

The canonical SMILES for 2-[[6-[2-(dimethylamino)ethoxymethyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide is CC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(COCCN(C)C)n3)s2)c(F)c1.

What is the InChIKey of 2-[[6-[2-(dimethylamino)ethoxymethyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?

The InChIKey is KECJGQFJQVFPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3S/c1-15(13-30)16-7-8-18(20(25)11-16)21-12-19(23(26)31)24(33-21)28-22-6-4-5-17(27-22)14-32-10-9-29(2)3/h4-8,11-12,15,30H,9-10,13-14H2,1-3H3,(H2,26,31)(H,27,28).

What are the key properties of 2-[[6-[2-(dimethylamino)ethoxymethyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?

2-[[6-[2-(dimethylamino)ethoxymethyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 3.97, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[2-(dimethylamino)ethoxymethyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 68741986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).