3-amino-5-fluoro-6-[3-fluoro-5-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide

C19H16F2N4O2 — CID 144794103

About 3-amino-5-fluoro-6-[3-fluoro-5-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide

3-amino-5-fluoro-6-[3-fluoro-5-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide (PubChem CID 144794103) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 3-amino-5-fluoro-6-[3-fluoro-5-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-5-fluoro-6-[3-fluoro-5-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide
• PubChem CID: 144794103
• Molecular Formula: C19H16F2N4O2
• Molecular Weight: 370.36 g/mol
• Exact Mass: 370.12
• IUPAC Name: 3-amino-5-fluoro-6-[3-fluoro-5-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide
• SMILES: CN1CC[C@@H](C#Cc2cc(F)cc(-c3nc(C(N)=O)c(N)cc3F)c2)C1=O
• InChI: InChI=1S/C19H16F2N4O2/c1-25-5-4-11(19(25)27)3-2-10-6-12(8-13(20)7-10)16-14(21)9-15(22)17(24-16)18(23)26/h6-9,11H,4-5,22H2,1H3,(H2,23,26)/t11-/m1/s1
• InChIKey: QDRNHKHHSOXZMA-LLVKDONJSA-N
• XLogP: 1.54
• TPSA: 102.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.36
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-6-[3-fluoro-5-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide?

The IUPAC name of 3-amino-5-fluoro-6-[3-fluoro-5-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide (CID 144794103) is 3-amino-5-fluoro-6-[3-fluoro-5-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-5-fluoro-6-[3-fluoro-5-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-5-fluoro-6-[3-fluoro-5-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide is CN1CC[C@@H](C#Cc2cc(F)cc(-c3nc(C(N)=O)c(N)cc3F)c2)C1=O.

What is the InChIKey of 3-amino-5-fluoro-6-[3-fluoro-5-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide?

The InChIKey is QDRNHKHHSOXZMA-LLVKDONJSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-25-5-4-11(19(25)27)3-2-10-6-12(8-13(20)7-10)16-14(21)9-15(22)17(24-16)18(23)26/h6-9,11H,4-5,22H2,1H3,(H2,23,26)/t11-/m1/s1.

What are the key properties of 3-amino-5-fluoro-6-[3-fluoro-5-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide?

3-amino-5-fluoro-6-[3-fluoro-5-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-fluoro-6-[3-fluoro-5-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 144794103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).