2-chloro-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-4-carboxamide

C24H21ClFN3O4 — CID 56774662

About 2-chloro-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-4-carboxamide

2-chloro-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-4-carboxamide (PubChem CID 56774662) has the molecular formula C24H21ClFN3O4 and a molecular weight of 469.90 g/mol. Its IUPAC name is 2-chloro-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-4-carboxamide
• PubChem CID: 56774662
• Molecular Formula: C24H21ClFN3O4
• Molecular Weight: 469.90 g/mol
• Exact Mass: 469.12
• IUPAC Name: 2-chloro-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-4-carboxamide
• SMILES: O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1)c1ccnc(Cl)c1
• InChI: InChI=1S/C24H21ClFN3O4/c25-21-11-16(9-10-27-21)24(32)28-18-7-5-15(6-8-18)23(31)20-13-33-14-22(30)29(20)12-17-3-1-2-4-19(17)26/h1-11,20,23,31H,12-14H2,(H,28,32)/t20-,23-/m1/s1
• InChIKey: UREFSMZMPUVMSK-NFBKMPQASA-N
• XLogP: 3.59
• TPSA: 91.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.90
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-4-carboxamide?

The IUPAC name of 2-chloro-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-4-carboxamide (CID 56774662) is 2-chloro-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-4-carboxamide.

What is the SMILES notation for 2-chloro-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-4-carboxamide?

The canonical SMILES for 2-chloro-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-4-carboxamide is O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1)c1ccnc(Cl)c1.

What is the InChIKey of 2-chloro-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-4-carboxamide?

The InChIKey is UREFSMZMPUVMSK-NFBKMPQASA-N. The full InChI is InChI=1S/C24H21ClFN3O4/c25-21-11-16(9-10-27-21)24(32)28-18-7-5-15(6-8-18)23(31)20-13-33-14-22(30)29(20)12-17-3-1-2-4-19(17)26/h1-11,20,23,31H,12-14H2,(H,28,32)/t20-,23-/m1/s1.

What are the key properties of 2-chloro-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-4-carboxamide?

2-chloro-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-4-carboxamide has a molecular weight of 469.90 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 56774662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).