3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide

C25H27FN4O — CID 110228605

IUPAC3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
SMILESCc1cccc(CN2CCC(C(NC(=O)c3cccc(F)c3)c3ccccn3)CC2)n1
InChIInChI=1S/C25H27FN4O/c1-18-6-4-9-22(28-18)17-30-14-11-19(12-15-30)24(23-10-2-3-13-27-23)29-25(31)20-7-5-8-21(26)16-20/h2-10,13,16,19,24H,11-12,14-15,17H2,1H3,(H,29,31)
InChIKeySXFYJDVFDNQHIY-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.31
Rot. Bonds6

About 3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide

3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide (PubChem CID 110228605) has the molecular formula C25H27FN4O and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
PubChem CID110228605
Molecular FormulaC25H27FN4O
Molecular Weight418.52 g/mol
Exact Mass418.22
IUPAC Name3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
SMILESCc1cccc(CN2CCC(C(NC(=O)c3cccc(F)c3)c3ccccn3)CC2)n1
InChIInChI=1S/C25H27FN4O/c1-18-6-4-9-22(28-18)17-30-14-11-19(12-15-30)24(23-10-2-3-13-27-23)29-25(31)20-7-5-8-21(26)16-20/h2-10,13,16,19,24H,11-12,14-15,17H2,1H3,(H,29,31)
InChIKeySXFYJDVFDNQHIY-UHFFFAOYSA-N
XLogP4.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
CID 92572784
N-[(R)-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
CID 92577278
3-fluoro-N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
CID 110228651
3-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide
CID 110228575
3-fluoro-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide
CID 110228766
3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide
CID 95795487
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
CID 110228772
N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
CID 92577245
N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110226600
N-[(S)-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
CID 92577155
N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 92572787
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 77080300

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide?
The IUPAC name of 3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide (CID 110228605) is 3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide is Cc1cccc(CN2CCC(C(NC(=O)c3cccc(F)c3)c3ccccn3)CC2)n1.
What is the InChIKey of 3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide?
The InChIKey is SXFYJDVFDNQHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O/c1-18-6-4-9-22(28-18)17-30-14-11-19(12-15-30)24(23-10-2-3-13-27-23)29-25(31)20-7-5-8-21(26)16-20/h2-10,13,16,19,24H,11-12,14-15,17H2,1H3,(H,29,31).
What are the key properties of 3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide?
3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide has a molecular weight of 418.52 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide is sourced from PubChem (CID 110228605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).