6-(3-fluorophenyl)-N-[1-[(6-methoxy-1,5-naphthyridin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide

C27H26FN5O2 — CID 67267155

IUPAC6-(3-fluorophenyl)-N-[1-[(6-methoxy-1,5-naphthyridin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc2nccc(CN3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)c2n1
InChIInChI=1S/C27H26FN5O2/c1-35-25-8-7-24-26(32-25)20(9-12-29-24)17-33-13-10-22(11-14-33)31-27(34)19-5-6-23(30-16-19)18-3-2-4-21(28)15-18/h2-9,12,15-16,22H,10-11,13-14,17H2,1H3,(H,31,34)
InChIKeyPQRJIRGWKDKQOQ-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.23
Rot. Bonds6

About 6-(3-fluorophenyl)-N-[1-[(6-methoxy-1,5-naphthyridin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-[(6-methoxy-1,5-naphthyridin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67267155) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[(6-methoxy-1,5-naphthyridin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[(6-methoxy-1,5-naphthyridin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67267155
Molecular FormulaC27H26FN5O2
Molecular Weight471.54 g/mol
Exact Mass471.21
IUPAC Name6-(3-fluorophenyl)-N-[1-[(6-methoxy-1,5-naphthyridin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc2nccc(CN3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)c2n1
InChIInChI=1S/C27H26FN5O2/c1-35-25-8-7-24-26(32-25)20(9-12-29-24)17-33-13-10-22(11-14-33)31-27(34)19-5-6-23(30-16-19)18-3-2-4-21(28)15-18/h2-9,12,15-16,22H,10-11,13-14,17H2,1H3,(H,31,34)
InChIKeyPQRJIRGWKDKQOQ-UHFFFAOYSA-N
XLogP4.23
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.23
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-methoxy-1,5-naphthyridin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[(6-methoxy-1,5-naphthyridin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 67267155) is 6-(3-fluorophenyl)-N-[1-[(6-methoxy-1,5-naphthyridin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[(6-methoxy-1,5-naphthyridin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[(6-methoxy-1,5-naphthyridin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide is COc1ccc2nccc(CN3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)c2n1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[(6-methoxy-1,5-naphthyridin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is PQRJIRGWKDKQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O2/c1-35-25-8-7-24-26(32-25)20(9-12-29-24)17-33-13-10-22(11-14-33)31-27(34)19-5-6-23(30-16-19)18-3-2-4-21(28)15-18/h2-9,12,15-16,22H,10-11,13-14,17H2,1H3,(H,31,34).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[(6-methoxy-1,5-naphthyridin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[(6-methoxy-1,5-naphthyridin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 4.23, 6 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-methoxy-1,5-naphthyridin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67267155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).