1-butan-2-yl-3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-N-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide

C23H34N4O4 — CID 45242955

About 1-butan-2-yl-3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-N-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide

1-butan-2-yl-3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-N-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 45242955) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-butan-2-yl-3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-N-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 1-butan-2-yl-3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-N-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide
• PubChem CID: 45242955
• Molecular Formula: C23H34N4O4
• Molecular Weight: 430.55 g/mol
• Exact Mass: 430.26
• IUPAC Name: 1-butan-2-yl-3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-N-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide
• SMILES: CCC(C)n1cc(C(=O)NCc2ccco2)c(=O)c(C(=O)NCC(C)(C)CN(C)C)c1
• InChI: InChI=1S/C23H34N4O4/c1-7-16(2)27-12-18(21(29)24-11-17-9-8-10-31-17)20(28)19(13-27)22(30)25-14-23(3,4)15-26(5)6/h8-10,12-13,16H,7,11,14-15H2,1-6H3,(H,24,29)(H,25,30)
• InChIKey: DBIUSVMDVAXNIA-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 96.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.55
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-N-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide?

The IUPAC name of 1-butan-2-yl-3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-N-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide (CID 45242955) is 1-butan-2-yl-3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-N-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide.

What is the SMILES notation for 1-butan-2-yl-3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-N-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide?

The canonical SMILES for 1-butan-2-yl-3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-N-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide is CCC(C)n1cc(C(=O)NCc2ccco2)c(=O)c(C(=O)NCC(C)(C)CN(C)C)c1.

What is the InChIKey of 1-butan-2-yl-3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-N-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide?

The InChIKey is DBIUSVMDVAXNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-7-16(2)27-12-18(21(29)24-11-17-9-8-10-31-17)20(28)19(13-27)22(30)25-14-23(3,4)15-26(5)6/h8-10,12-13,16H,7,11,14-15H2,1-6H3,(H,24,29)(H,25,30).

What are the key properties of 1-butan-2-yl-3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-N-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide?

1-butan-2-yl-3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-N-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 430.55 g/mol, XLogP of 2.66, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-N-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 45242955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).