4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(oxan-4-ylamino)propylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one

C24H28ClN5O4 — CID 66831739

About 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(oxan-4-ylamino)propylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(oxan-4-ylamino)propylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one (PubChem CID 66831739) has the molecular formula C24H28ClN5O4 and a molecular weight of 485.97 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(oxan-4-ylamino)propylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one.

Molecular Properties

• Compound Name: 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(oxan-4-ylamino)propylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one
• PubChem CID: 66831739
• Molecular Formula: C24H28ClN5O4
• Molecular Weight: 485.97 g/mol
• Exact Mass: 485.18
• IUPAC Name: 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(oxan-4-ylamino)propylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one
• SMILES: O=c1[nH]c(NCCCNC2CCOCC2)ccc1-n1ccc(OCc2ccc(Cl)cn2)cc1=O
• InChI: InChI=1S/C24H28ClN5O4/c25-17-2-3-19(28-15-17)16-34-20-6-11-30(23(31)14-20)21-4-5-22(29-24(21)32)27-10-1-9-26-18-7-12-33-13-8-18/h2-6,11,14-15,18,26H,1,7-10,12-13,16H2,(H2,27,29,32)
• InChIKey: KBGLHRJYCPEBGH-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 110.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.97
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(oxan-4-ylamino)propylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one?

The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(oxan-4-ylamino)propylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one (CID 66831739) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(oxan-4-ylamino)propylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one.

What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(oxan-4-ylamino)propylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one?

The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(oxan-4-ylamino)propylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one is O=c1[nH]c(NCCCNC2CCOCC2)ccc1-n1ccc(OCc2ccc(Cl)cn2)cc1=O.

What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(oxan-4-ylamino)propylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one?

The InChIKey is KBGLHRJYCPEBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O4/c25-17-2-3-19(28-15-17)16-34-20-6-11-30(23(31)14-20)21-4-5-22(29-24(21)32)27-10-1-9-26-18-7-12-33-13-8-18/h2-6,11,14-15,18,26H,1,7-10,12-13,16H2,(H2,27,29,32).

What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(oxan-4-ylamino)propylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one?

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(oxan-4-ylamino)propylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one has a molecular weight of 485.97 g/mol, XLogP of 2.72, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(oxan-4-ylamino)propylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one is sourced from PubChem (CID 66831739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).