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

C24H28N4O4 — CID 90011310

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

N-[4-[(3R)-3-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide (PubChem CID 90011310) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[4-[(3R)-3-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(3R)-3-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
• PubChem CID: 90011310
• Molecular Formula: C24H28N4O4
• Molecular Weight: 436.51 g/mol
• Exact Mass: 436.21
• IUPAC Name: N-[4-[(3R)-3-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
• SMILES: O=C(Nc1ccc(O[C@]2(C(=O)[C@H]3CCCO3)CCNC2)cc1)N1CC(c2cccnc2)C1
• InChI: InChI=1S/C24H28N4O4/c29-22(21-4-2-12-31-21)24(9-11-26-16-24)32-20-7-5-19(6-8-20)27-23(30)28-14-18(15-28)17-3-1-10-25-13-17/h1,3,5-8,10,13,18,21,26H,2,4,9,11-12,14-16H2,(H,27,30)/t21-,24-/m1/s1
• InChIKey: QMGNKUJTFKABKI-ZJSXRUAMSA-N
• XLogP: 2.57
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.51
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-[(3R)-3-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide (CID 90011310) is N-[4-[(3R)-3-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide.

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

The canonical SMILES for N-[4-[(3R)-3-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide is O=C(Nc1ccc(O[C@]2(C(=O)[C@H]3CCCO3)CCNC2)cc1)N1CC(c2cccnc2)C1.

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

The InChIKey is QMGNKUJTFKABKI-ZJSXRUAMSA-N. The full InChI is InChI=1S/C24H28N4O4/c29-22(21-4-2-12-31-21)24(9-11-26-16-24)32-20-7-5-19(6-8-20)27-23(30)28-14-18(15-28)17-3-1-10-25-13-17/h1,3,5-8,10,13,18,21,26H,2,4,9,11-12,14-16H2,(H,27,30)/t21-,24-/m1/s1.

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

N-[4-[(3R)-3-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3R)-3-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide is sourced from PubChem (CID 90011310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).