N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide

C26H26F2N4O2 — CID 170781588

About N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide

N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide (PubChem CID 170781588) has the molecular formula C26H26F2N4O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide
• PubChem CID: 170781588
• Molecular Formula: C26H26F2N4O2
• Molecular Weight: 464.52 g/mol
• Exact Mass: 464.20
• IUPAC Name: N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide
• SMILES: CCC1=Nc2ccc(CN3CC=C(c4ccc(C(=O)NC5CC5)nc4F)CC3)c(F)c2CC1=O
• InChI: InChI=1S/C26H26F2N4O2/c1-2-20-23(33)13-19-21(30-20)7-3-16(24(19)27)14-32-11-9-15(10-12-32)18-6-8-22(31-25(18)28)26(34)29-17-4-5-17/h3,6-9,17H,2,4-5,10-14H2,1H3,(H,29,34)
• InChIKey: PERZWFPWAHEETO-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 74.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.52
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide?

The IUPAC name of N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide (CID 170781588) is N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide.

What is the SMILES notation for N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide?

The canonical SMILES for N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide is CCC1=Nc2ccc(CN3CC=C(c4ccc(C(=O)NC5CC5)nc4F)CC3)c(F)c2CC1=O.

What is the InChIKey of N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide?

The InChIKey is PERZWFPWAHEETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O2/c1-2-20-23(33)13-19-21(30-20)7-3-16(24(19)27)14-32-11-9-15(10-12-32)18-6-8-22(31-25(18)28)26(34)29-17-4-5-17/h3,6-9,17H,2,4-5,10-14H2,1H3,(H,29,34).

What are the key properties of N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide?

N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide has a molecular weight of 464.52 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 170781588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).