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

C21H18F3N5O4 — CID 155236427

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

1-(3,5-difluoro-2-pyridinyl)-N-[(2S)-1-fluoropropan-2-yl]-7-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 155236427) has the molecular formula C21H18F3N5O4 and a molecular weight of 461.40 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)-N-[(2S)-1-fluoropropan-2-yl]-7-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3,5-difluoro-2-pyridinyl)-N-[(2S)-1-fluoropropan-2-yl]-7-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 155236427
• Molecular Formula: C21H18F3N5O4
• Molecular Weight: 461.40 g/mol
• Exact Mass: 461.13
• IUPAC Name: 1-(3,5-difluoro-2-pyridinyl)-N-[(2S)-1-fluoropropan-2-yl]-7-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: C[C@@H](CF)NC(=O)c1cn(-c2ncc(F)cc2F)c2nc(N3CC(O)CC3=O)ccc2c1=O
• InChI: InChI=1S/C21H18F3N5O4/c1-10(6-22)26-21(33)14-9-29(20-15(24)4-11(23)7-25-20)19-13(18(14)32)2-3-16(27-19)28-8-12(30)5-17(28)31/h2-4,7,9-10,12,30H,5-6,8H2,1H3,(H,26,33)/t10-,12?/m0/s1
• InChIKey: YQZADBLOJYZYPX-NUHJPDEHSA-N
• XLogP: 1.24
• TPSA: 117.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.40
LogP ≤ 5	1.24
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-[(2S)-1-fluoropropan-2-yl]-7-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-N-[(2S)-1-fluoropropan-2-yl]-7-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 155236427) is 1-(3,5-difluoro-2-pyridinyl)-N-[(2S)-1-fluoropropan-2-yl]-7-(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-[(2S)-1-fluoropropan-2-yl]-7-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-(3,5-difluoro-2-pyridinyl)-N-[(2S)-1-fluoropropan-2-yl]-7-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide is C[C@@H](CF)NC(=O)c1cn(-c2ncc(F)cc2F)c2nc(N3CC(O)CC3=O)ccc2c1=O.

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

The InChIKey is YQZADBLOJYZYPX-NUHJPDEHSA-N. The full InChI is InChI=1S/C21H18F3N5O4/c1-10(6-22)26-21(33)14-9-29(20-15(24)4-11(23)7-25-20)19-13(18(14)32)2-3-16(27-19)28-8-12(30)5-17(28)31/h2-4,7,9-10,12,30H,5-6,8H2,1H3,(H,26,33)/t10-,12?/m0/s1.

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

1-(3,5-difluoro-2-pyridinyl)-N-[(2S)-1-fluoropropan-2-yl]-7-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 461.40 g/mol, XLogP of 1.24, 5 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-[(2S)-1-fluoropropan-2-yl]-7-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 155236427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).