N-[(5-methylfuran-2-yl)methyl]-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide

C20H20N4O3 — CID 30848867

About N-[(5-methylfuran-2-yl)methyl]-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide

N-[(5-methylfuran-2-yl)methyl]-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide (PubChem CID 30848867) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[(5-methylfuran-2-yl)methyl]-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide
• PubChem CID: 30848867
• Molecular Formula: C20H20N4O3
• Molecular Weight: 364.41 g/mol
• Exact Mass: 364.15
• IUPAC Name: N-[(5-methylfuran-2-yl)methyl]-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide
• SMILES: Cc1ccc2[nH]c3c(=O)n(CCC(=O)NCc4ccc(C)o4)cnc3c2c1
• InChI: InChI=1S/C20H20N4O3/c1-12-3-6-16-15(9-12)18-19(23-16)20(26)24(11-22-18)8-7-17(25)21-10-14-5-4-13(2)27-14/h3-6,9,11,23H,7-8,10H2,1-2H3,(H,21,25)
• InChIKey: RBHDXPHIEOJZJP-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 92.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.41
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide?

The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide (CID 30848867) is N-[(5-methylfuran-2-yl)methyl]-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide.

What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide?

The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide is Cc1ccc2[nH]c3c(=O)n(CCC(=O)NCc4ccc(C)o4)cnc3c2c1.

What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide?

The InChIKey is RBHDXPHIEOJZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12-3-6-16-15(9-12)18-19(23-16)20(26)24(11-22-18)8-7-17(25)21-10-14-5-4-13(2)27-14/h3-6,9,11,23H,7-8,10H2,1-2H3,(H,21,25).

What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide?

N-[(5-methylfuran-2-yl)methyl]-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide has a molecular weight of 364.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methylfuran-2-yl)methyl]-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide is sourced from PubChem (CID 30848867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).