6-(3-fluorophenyl)-N-[1-(6-methoxyquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide

C26H24FN5O2 — CID 67268129

IUPAC6-(3-fluorophenyl)-N-[1-(6-methoxyquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc2ncnc(N3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)c2c1
InChIInChI=1S/C26H24FN5O2/c1-34-21-6-8-24-22(14-21)25(30-16-29-24)32-11-9-20(10-12-32)31-26(33)18-5-7-23(28-15-18)17-3-2-4-19(27)13-17/h2-8,13-16,20H,9-12H2,1H3,(H,31,33)
InChIKeyGZLUCIMHCWAZCI-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.24
Rot. Bonds5

About 6-(3-fluorophenyl)-N-[1-(6-methoxyquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-(6-methoxyquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67268129) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-(6-methoxyquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-(6-methoxyquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67268129
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC Name6-(3-fluorophenyl)-N-[1-(6-methoxyquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc2ncnc(N3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)c2c1
InChIInChI=1S/C26H24FN5O2/c1-34-21-6-8-24-22(14-21)25(30-16-29-24)32-11-9-20(10-12-32)31-26(33)18-5-7-23(28-15-18)17-3-2-4-19(27)13-17/h2-8,13-16,20H,9-12H2,1H3,(H,31,33)
InChIKeyGZLUCIMHCWAZCI-UHFFFAOYSA-N
XLogP4.24
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-(6-methoxyquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-(6-methoxyquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide (CID 67268129) is 6-(3-fluorophenyl)-N-[1-(6-methoxyquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-(6-methoxyquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-(6-methoxyquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide is COc1ccc2ncnc(N3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)c2c1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-(6-methoxyquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is GZLUCIMHCWAZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c1-34-21-6-8-24-22(14-21)25(30-16-29-24)32-11-9-20(10-12-32)31-26(33)18-5-7-23(28-15-18)17-3-2-4-19(27)13-17/h2-8,13-16,20H,9-12H2,1H3,(H,31,33).
What are the key properties of 6-(3-fluorophenyl)-N-[1-(6-methoxyquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-(6-methoxyquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[1-(6-methoxyquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67268129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).