N-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide

C20H25N5O4 — CID 118252773

About N-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide

N-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide (PubChem CID 118252773) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
• PubChem CID: 118252773
• Molecular Formula: C20H25N5O4
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.19
• IUPAC Name: N-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
• SMILES: COc1nc(N2CCNCC2)ccc1NC(=O)c1coc2c1C(=O)NC(C)(C)C2
• InChI: InChI=1S/C20H25N5O4/c1-20(2)10-14-16(18(27)24-20)12(11-29-14)17(26)22-13-4-5-15(23-19(13)28-3)25-8-6-21-7-9-25/h4-5,11,21H,6-10H2,1-3H3,(H,22,26)(H,24,27)
• InChIKey: DAGRNSFIRJWVIM-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 108.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?

The IUPAC name of N-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide (CID 118252773) is N-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide.

What is the SMILES notation for N-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?

The canonical SMILES for N-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide is COc1nc(N2CCNCC2)ccc1NC(=O)c1coc2c1C(=O)NC(C)(C)C2.

What is the InChIKey of N-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?

The InChIKey is DAGRNSFIRJWVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-20(2)10-14-16(18(27)24-20)12(11-29-14)17(26)22-13-4-5-15(23-19(13)28-3)25-8-6-21-7-9-25/h4-5,11,21H,6-10H2,1-3H3,(H,22,26)(H,24,27).

What are the key properties of N-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?

N-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 118252773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).