1-(3,5-difluoro-2-pyridinyl)-N-(3-fluorobut-3-enyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide

C22H18F3N5O4 — CID 134181765

About 1-(3,5-difluoro-2-pyridinyl)-N-(3-fluorobut-3-enyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide

1-(3,5-difluoro-2-pyridinyl)-N-(3-fluorobut-3-enyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 134181765) has the molecular formula C22H18F3N5O4 and a molecular weight of 473.41 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)-N-(3-fluorobut-3-enyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3,5-difluoro-2-pyridinyl)-N-(3-fluorobut-3-enyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 134181765
• Molecular Formula: C22H18F3N5O4
• Molecular Weight: 473.41 g/mol
• Exact Mass: 473.13
• IUPAC Name: 1-(3,5-difluoro-2-pyridinyl)-N-(3-fluorobut-3-enyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: C=C(F)CCNC(=O)c1cn(-c2ncc(F)cc2F)c2nc(N3C[C@@H](O)CC3=O)ccc2c1=O
• InChI: InChI=1S/C22H18F3N5O4/c1-11(23)4-5-26-22(34)15-10-30(21-16(25)6-12(24)8-27-21)20-14(19(15)33)2-3-17(28-20)29-9-13(31)7-18(29)32/h2-3,6,8,10,13,31H,1,4-5,7,9H2,(H,26,34)/t13-/m0/s1
• InChIKey: JDINJSPGYCHOLC-ZDUSSCGKSA-N
• XLogP: 1.76
• TPSA: 117.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.41
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-N-(3-fluorobut-3-enyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-N-(3-fluorobut-3-enyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 134181765) is 1-(3,5-difluoro-2-pyridinyl)-N-(3-fluorobut-3-enyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-(3,5-difluoro-2-pyridinyl)-N-(3-fluorobut-3-enyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-(3,5-difluoro-2-pyridinyl)-N-(3-fluorobut-3-enyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide is C=C(F)CCNC(=O)c1cn(-c2ncc(F)cc2F)c2nc(N3C[C@@H](O)CC3=O)ccc2c1=O.

What is the InChIKey of 1-(3,5-difluoro-2-pyridinyl)-N-(3-fluorobut-3-enyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is JDINJSPGYCHOLC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H18F3N5O4/c1-11(23)4-5-26-22(34)15-10-30(21-16(25)6-12(24)8-27-21)20-14(19(15)33)2-3-17(28-20)29-9-13(31)7-18(29)32/h2-3,6,8,10,13,31H,1,4-5,7,9H2,(H,26,34)/t13-/m0/s1.

What are the key properties of 1-(3,5-difluoro-2-pyridinyl)-N-(3-fluorobut-3-enyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?

1-(3,5-difluoro-2-pyridinyl)-N-(3-fluorobut-3-enyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 473.41 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-difluoro-2-pyridinyl)-N-(3-fluorobut-3-enyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 134181765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).