N-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C25H23N3O4 — CID 121363833

About N-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363833) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: N-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
• PubChem CID: 121363833
• Molecular Formula: C25H23N3O4
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.17
• IUPAC Name: N-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
• SMILES: O=C(NCc1cccc(C(=O)N2CC[C@H](O)C2)c1)c1ccc2c(c1)OCc1cnccc1-2
• InChI: InChI=1S/C25H23N3O4/c29-20-7-9-28(14-20)25(31)18-3-1-2-16(10-18)12-27-24(30)17-4-5-22-21-6-8-26-13-19(21)15-32-23(22)11-17/h1-6,8,10-11,13,20,29H,7,9,12,14-15H2,(H,27,30)/t20-/m0/s1
• InChIKey: SMXKKBCFKUVUNL-FQEVSTJZSA-N
• XLogP: 2.78
• TPSA: 91.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?

The IUPAC name of N-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363833) is N-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

What is the SMILES notation for N-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?

The canonical SMILES for N-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is O=C(NCc1cccc(C(=O)N2CC[C@H](O)C2)c1)c1ccc2c(c1)OCc1cnccc1-2.

What is the InChIKey of N-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?

The InChIKey is SMXKKBCFKUVUNL-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H23N3O4/c29-20-7-9-28(14-20)25(31)18-3-1-2-16(10-18)12-27-24(30)17-4-5-22-21-6-8-26-13-19(21)15-32-23(22)11-17/h1-6,8,10-11,13,20,29H,7,9,12,14-15H2,(H,27,30)/t20-/m0/s1.

What are the key properties of N-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?

N-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).