N-[(2S)-1-[4-(6-ethoxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide

C20H30N4O4 — CID 122497789

About N-[(2S)-1-[4-(6-ethoxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[4-(6-ethoxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide (PubChem CID 122497789) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[(2S)-1-[4-(6-ethoxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[4-(6-ethoxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
• PubChem CID: 122497789
• Molecular Formula: C20H30N4O4
• Molecular Weight: 390.48 g/mol
• Exact Mass: 390.23
• IUPAC Name: N-[(2S)-1-[4-(6-ethoxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
• SMILES: CCOc1cc2c(cn1)nc(OC1CCC(OC[C@H](C)NC(C)=O)CC1)n2C
• InChI: InChI=1S/C20H30N4O4/c1-5-26-19-10-18-17(11-21-19)23-20(24(18)4)28-16-8-6-15(7-9-16)27-12-13(2)22-14(3)25/h10-11,13,15-16H,5-9,12H2,1-4H3,(H,22,25)/t13-,15?,16?/m0/s1
• InChIKey: NFCDZZBZILSMHI-JEYLPNPQSA-N
• XLogP: 2.60
• TPSA: 87.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.48
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(6-ethoxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?

The IUPAC name of N-[(2S)-1-[4-(6-ethoxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide (CID 122497789) is N-[(2S)-1-[4-(6-ethoxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide.

What is the SMILES notation for N-[(2S)-1-[4-(6-ethoxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?

The canonical SMILES for N-[(2S)-1-[4-(6-ethoxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide is CCOc1cc2c(cn1)nc(OC1CCC(OC[C@H](C)NC(C)=O)CC1)n2C.

What is the InChIKey of N-[(2S)-1-[4-(6-ethoxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?

The InChIKey is NFCDZZBZILSMHI-JEYLPNPQSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-5-26-19-10-18-17(11-21-19)23-20(24(18)4)28-16-8-6-15(7-9-16)27-12-13(2)22-14(3)25/h10-11,13,15-16H,5-9,12H2,1-4H3,(H,22,25)/t13-,15?,16?/m0/s1.

What are the key properties of N-[(2S)-1-[4-(6-ethoxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?

N-[(2S)-1-[4-(6-ethoxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide has a molecular weight of 390.48 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[4-(6-ethoxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).