N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide

C23H28N4O5 — CID 139464646

About N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide

N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 139464646) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
• PubChem CID: 139464646
• Molecular Formula: C23H28N4O5
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.21
• IUPAC Name: N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
• SMILES: COC1(c2cc(OCCC(C)O)cc(-c3c[nH]c4cnc(NC(C)=O)cc34)n2)CCOC1
• InChI: InChI=1S/C23H28N4O5/c1-14(28)4-6-32-16-8-19(27-21(9-16)23(30-3)5-7-31-13-23)18-11-24-20-12-25-22(10-17(18)20)26-15(2)29/h8-12,14,24,28H,4-7,13H2,1-3H3,(H,25,26,29)
• InChIKey: PMOPSRUABHIHPM-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 118.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide?

The IUPAC name of N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 139464646) is N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide.

What is the SMILES notation for N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide?

The canonical SMILES for N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide is COC1(c2cc(OCCC(C)O)cc(-c3c[nH]c4cnc(NC(C)=O)cc34)n2)CCOC1.

What is the InChIKey of N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide?

The InChIKey is PMOPSRUABHIHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-14(28)4-6-32-16-8-19(27-21(9-16)23(30-3)5-7-31-13-23)18-11-24-20-12-25-22(10-17(18)20)26-15(2)29/h8-12,14,24,28H,4-7,13H2,1-3H3,(H,25,26,29).

What are the key properties of N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide?

N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 440.50 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 139464646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).