N-[3-[(1R)-1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3,4-dimethylbenzamide

C27H26N4O2 — CID 139489246

About N-[3-[(1R)-1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3,4-dimethylbenzamide

N-[3-[(1R)-1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3,4-dimethylbenzamide (PubChem CID 139489246) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[3-[(1R)-1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3,4-dimethylbenzamide.

Molecular Properties

• Compound Name: N-[3-[(1R)-1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3,4-dimethylbenzamide
• PubChem CID: 139489246
• Molecular Formula: C27H26N4O2
• Molecular Weight: 438.53 g/mol
• Exact Mass: 438.21
• IUPAC Name: N-[3-[(1R)-1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3,4-dimethylbenzamide
• SMILES: Cc1ccc(C(=O)Nc2cccc([C@@H](C)Oc3cc(-c4cccnc4)cnc3N)c2)cc1C
• InChI: InChI=1S/C27H26N4O2/c1-17-9-10-21(12-18(17)2)27(32)31-24-8-4-6-20(13-24)19(3)33-25-14-23(16-30-26(25)28)22-7-5-11-29-15-22/h4-16,19H,1-3H3,(H2,28,30)(H,31,32)/t19-/m1/s1
• InChIKey: MQNFLUZLFBOTFM-LJQANCHMSA-N
• XLogP: 5.73
• TPSA: 90.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.53
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3,4-dimethylbenzamide?

The IUPAC name of N-[3-[(1R)-1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3,4-dimethylbenzamide (CID 139489246) is N-[3-[(1R)-1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3,4-dimethylbenzamide.

What is the SMILES notation for N-[3-[(1R)-1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3,4-dimethylbenzamide?

The canonical SMILES for N-[3-[(1R)-1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2cccc([C@@H](C)Oc3cc(-c4cccnc4)cnc3N)c2)cc1C.

What is the InChIKey of N-[3-[(1R)-1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3,4-dimethylbenzamide?

The InChIKey is MQNFLUZLFBOTFM-LJQANCHMSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-17-9-10-21(12-18(17)2)27(32)31-24-8-4-6-20(13-24)19(3)33-25-14-23(16-30-26(25)28)22-7-5-11-29-15-22/h4-16,19H,1-3H3,(H2,28,30)(H,31,32)/t19-/m1/s1.

What are the key properties of N-[3-[(1R)-1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3,4-dimethylbenzamide?

N-[3-[(1R)-1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3,4-dimethylbenzamide has a molecular weight of 438.53 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(1R)-1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 139489246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).