4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-2-oxo-1H-pyridin-3-yl]pyridin-2-one

C22H24ClN5O3 — CID 67159431

About 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-2-oxo-1H-pyridin-3-yl]pyridin-2-one

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-2-oxo-1H-pyridin-3-yl]pyridin-2-one (PubChem CID 67159431) has the molecular formula C22H24ClN5O3 and a molecular weight of 441.92 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-2-oxo-1H-pyridin-3-yl]pyridin-2-one.

Molecular Properties

• Compound Name: 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-2-oxo-1H-pyridin-3-yl]pyridin-2-one
• PubChem CID: 67159431
• Molecular Formula: C22H24ClN5O3
• Molecular Weight: 441.92 g/mol
• Exact Mass: 441.16
• IUPAC Name: 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-2-oxo-1H-pyridin-3-yl]pyridin-2-one
• SMILES: CCN[C@@H]1CCN(c2ccc(-n3ccc(OCc4ccc(Cl)cn4)cc3=O)c(=O)[nH]2)C1
• InChI: InChI=1S/C22H24ClN5O3/c1-2-24-16-7-9-27(13-16)20-6-5-19(22(30)26-20)28-10-8-18(11-21(28)29)31-14-17-4-3-15(23)12-25-17/h3-6,8,10-12,16,24H,2,7,9,13-14H2,1H3,(H,26,30)/t16-/m1/s1
• InChIKey: YTLXWYDRKOFMNM-MRXNPFEDSA-N
• XLogP: 2.34
• TPSA: 92.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.92
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-2-oxo-1H-pyridin-3-yl]pyridin-2-one (CID 67159431) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-2-oxo-1H-pyridin-3-yl]pyridin-2-one.

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

The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-2-oxo-1H-pyridin-3-yl]pyridin-2-one is CCN[C@@H]1CCN(c2ccc(-n3ccc(OCc4ccc(Cl)cn4)cc3=O)c(=O)[nH]2)C1.

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

The InChIKey is YTLXWYDRKOFMNM-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24ClN5O3/c1-2-24-16-7-9-27(13-16)20-6-5-19(22(30)26-20)28-10-8-18(11-21(28)29)31-14-17-4-3-15(23)12-25-17/h3-6,8,10-12,16,24H,2,7,9,13-14H2,1H3,(H,26,30)/t16-/m1/s1.

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

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-2-oxo-1H-pyridin-3-yl]pyridin-2-one has a molecular weight of 441.92 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-2-oxo-1H-pyridin-3-yl]pyridin-2-one is sourced from PubChem (CID 67159431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).