N-[4-[5-[(5-ethyl-1,2-oxazol-3-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-N-[2-(2,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrol-1-yl)ethyl]formamide

C30H36N6O4 — CID 138649997

About N-[4-[5-[(5-ethyl-1,2-oxazol-3-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-N-[2-(2,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrol-1-yl)ethyl]formamide

N-[4-[5-[(5-ethyl-1,2-oxazol-3-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-N-[2-(2,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrol-1-yl)ethyl]formamide (PubChem CID 138649997) has the molecular formula C30H36N6O4 and a molecular weight of 544.66 g/mol. Its IUPAC name is N-[4-[5-[(5-ethyl-1,2-oxazol-3-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-N-[2-(2,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrol-1-yl)ethyl]formamide.

Molecular Properties

• Compound Name: N-[4-[5-[(5-ethyl-1,2-oxazol-3-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-N-[2-(2,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrol-1-yl)ethyl]formamide
• PubChem CID: 138649997
• Molecular Formula: C30H36N6O4
• Molecular Weight: 544.66 g/mol
• Exact Mass: 544.28
• IUPAC Name: N-[4-[5-[(5-ethyl-1,2-oxazol-3-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-N-[2-(2,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrol-1-yl)ethyl]formamide
• SMILES: CCc1cc(Nc2cc(-c3ccnc(N(C=O)CCn4c(C)cc5c4CC(C)(C)C5)c3CO)cn(C)c2=O)no1
• InChI: InChI=1S/C30H36N6O4/c1-6-22-13-27(33-40-22)32-25-12-21(16-34(5)29(25)39)23-7-8-31-28(24(23)17-37)35(18-38)9-10-36-19(2)11-20-14-30(3,4)15-26(20)36/h7-8,11-13,16,18,37H,6,9-10,14-15,17H2,1-5H3,(H,32,33)
• InChIKey: DPUVLUDADVDIRN-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 118.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.66
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(5-ethyl-1,2-oxazol-3-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-N-[2-(2,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrol-1-yl)ethyl]formamide?

The IUPAC name of N-[4-[5-[(5-ethyl-1,2-oxazol-3-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-N-[2-(2,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrol-1-yl)ethyl]formamide (CID 138649997) is N-[4-[5-[(5-ethyl-1,2-oxazol-3-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-N-[2-(2,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrol-1-yl)ethyl]formamide.

What is the SMILES notation for N-[4-[5-[(5-ethyl-1,2-oxazol-3-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-N-[2-(2,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrol-1-yl)ethyl]formamide?

The canonical SMILES for N-[4-[5-[(5-ethyl-1,2-oxazol-3-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-N-[2-(2,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrol-1-yl)ethyl]formamide is CCc1cc(Nc2cc(-c3ccnc(N(C=O)CCn4c(C)cc5c4CC(C)(C)C5)c3CO)cn(C)c2=O)no1.

What is the InChIKey of N-[4-[5-[(5-ethyl-1,2-oxazol-3-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-N-[2-(2,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrol-1-yl)ethyl]formamide?

The InChIKey is DPUVLUDADVDIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O4/c1-6-22-13-27(33-40-22)32-25-12-21(16-34(5)29(25)39)23-7-8-31-28(24(23)17-37)35(18-38)9-10-36-19(2)11-20-14-30(3,4)15-26(20)36/h7-8,11-13,16,18,37H,6,9-10,14-15,17H2,1-5H3,(H,32,33).

What are the key properties of N-[4-[5-[(5-ethyl-1,2-oxazol-3-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-N-[2-(2,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrol-1-yl)ethyl]formamide?

N-[4-[5-[(5-ethyl-1,2-oxazol-3-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-N-[2-(2,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrol-1-yl)ethyl]formamide has a molecular weight of 544.66 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[(5-ethyl-1,2-oxazol-3-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-N-[2-(2,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrol-1-yl)ethyl]formamide is sourced from PubChem (CID 138649997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).