N-[4-[6-(aminomethyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C21H20N6O2 — CID 121411877

About N-[4-[6-(aminomethyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[6-(aminomethyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 121411877) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[4-[6-(aminomethyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[6-(aminomethyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• PubChem CID: 121411877
• Molecular Formula: C21H20N6O2
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.16
• IUPAC Name: N-[4-[6-(aminomethyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• SMILES: COc1ccc(-c2c(-c3ccnc(NC(C)=O)c3)[nH]c3cc(CN)cnc23)cn1
• InChI: InChI=1S/C21H20N6O2/c1-12(28)26-17-8-14(5-6-23-17)20-19(15-3-4-18(29-2)24-11-15)21-16(27-20)7-13(9-22)10-25-21/h3-8,10-11,27H,9,22H2,1-2H3,(H,23,26,28)
• InChIKey: NQMFEEFUCBGNDS-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 118.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(aminomethyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[6-(aminomethyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 121411877) is N-[4-[6-(aminomethyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[6-(aminomethyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[6-(aminomethyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is COc1ccc(-c2c(-c3ccnc(NC(C)=O)c3)[nH]c3cc(CN)cnc23)cn1.

What is the InChIKey of N-[4-[6-(aminomethyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The InChIKey is NQMFEEFUCBGNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-12(28)26-17-8-14(5-6-23-17)20-19(15-3-4-18(29-2)24-11-15)21-16(27-20)7-13(9-22)10-25-21/h3-8,10-11,27H,9,22H2,1-2H3,(H,23,26,28).

What are the key properties of N-[4-[6-(aminomethyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

N-[4-[6-(aminomethyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 388.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(aminomethyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121411877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).