N-[4-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide

C23H26N4O3 — CID 90010961

About N-[4-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide

N-[4-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide (PubChem CID 90010961) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[4-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
• PubChem CID: 90010961
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: N-[4-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
• SMILES: O=C(Nc1ccc(C2CN(C(=O)[C@@H]3CCCO3)C2)cc1)N1CC(c2cccnc2)C1
• InChI: InChI=1S/C23H26N4O3/c28-22(21-4-2-10-30-21)26-12-18(13-26)16-5-7-20(8-6-16)25-23(29)27-14-19(15-27)17-3-1-9-24-11-17/h1,3,5-9,11,18-19,21H,2,4,10,12-15H2,(H,25,29)/t21-/m0/s1
• InChIKey: GOECRVNAWPWIDV-NRFANRHFSA-N
• XLogP: 2.82
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?

The IUPAC name of N-[4-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide (CID 90010961) is N-[4-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide.

What is the SMILES notation for N-[4-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?

The canonical SMILES for N-[4-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide is O=C(Nc1ccc(C2CN(C(=O)[C@@H]3CCCO3)C2)cc1)N1CC(c2cccnc2)C1.

What is the InChIKey of N-[4-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?

The InChIKey is GOECRVNAWPWIDV-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-22(21-4-2-10-30-21)26-12-18(13-26)16-5-7-20(8-6-16)25-23(29)27-14-19(15-27)17-3-1-9-24-11-17/h1,3,5-9,11,18-19,21H,2,4,10,12-15H2,(H,25,29)/t21-/m0/s1.

What are the key properties of N-[4-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?

N-[4-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide is sourced from PubChem (CID 90010961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).