N-[4-[(3R)-1-(2-ethoxyacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide

C23H28N4O4 — CID 90011545

About N-[4-[(3R)-1-(2-ethoxyacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide

N-[4-[(3R)-1-(2-ethoxyacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide (PubChem CID 90011545) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[4-[(3R)-1-(2-ethoxyacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(3R)-1-(2-ethoxyacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
• PubChem CID: 90011545
• Molecular Formula: C23H28N4O4
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.21
• IUPAC Name: N-[4-[(3R)-1-(2-ethoxyacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
• SMILES: CCOCC(=O)N1CC[C@@H](Oc2ccc(NC(=O)N3CC(c4cccnc4)C3)cc2)C1
• InChI: InChI=1S/C23H28N4O4/c1-2-30-16-22(28)26-11-9-21(15-26)31-20-7-5-19(6-8-20)25-23(29)27-13-18(14-27)17-4-3-10-24-12-17/h3-8,10,12,18,21H,2,9,11,13-16H2,1H3,(H,25,29)/t21-/m1/s1
• InChIKey: ODLAPVOYIJUDGL-OAQYLSRUSA-N
• XLogP: 2.73
• TPSA: 84.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-1-(2-ethoxyacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide?

The IUPAC name of N-[4-[(3R)-1-(2-ethoxyacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide (CID 90011545) is N-[4-[(3R)-1-(2-ethoxyacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide.

What is the SMILES notation for N-[4-[(3R)-1-(2-ethoxyacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide?

The canonical SMILES for N-[4-[(3R)-1-(2-ethoxyacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide is CCOCC(=O)N1CC[C@@H](Oc2ccc(NC(=O)N3CC(c4cccnc4)C3)cc2)C1.

What is the InChIKey of N-[4-[(3R)-1-(2-ethoxyacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide?

The InChIKey is ODLAPVOYIJUDGL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-2-30-16-22(28)26-11-9-21(15-26)31-20-7-5-19(6-8-20)25-23(29)27-13-18(14-27)17-4-3-10-24-12-17/h3-8,10,12,18,21H,2,9,11,13-16H2,1H3,(H,25,29)/t21-/m1/s1.

What are the key properties of N-[4-[(3R)-1-(2-ethoxyacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide?

N-[4-[(3R)-1-(2-ethoxyacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3R)-1-(2-ethoxyacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide is sourced from PubChem (CID 90011545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).