N-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

C25H25ClFN3O2 — CID 67268739

IUPACN-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cc1Cl
InChIInChI=1S/C25H25ClFN3O2/c1-32-24-8-5-17(13-22(24)26)16-30-11-9-21(10-12-30)29-25(31)19-6-7-23(28-15-19)18-3-2-4-20(27)14-18/h2-8,13-15,21H,9-12,16H2,1H3,(H,29,31)
InChIKeyQAOJEGQLVOUHBX-UHFFFAOYSA-N
MW453.95 g/mol
LogP4.94
Rot. Bonds6

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

N-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 67268739) has the molecular formula C25H25ClFN3O2 and a molecular weight of 453.95 g/mol. Its IUPAC name is N-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID67268739
Molecular FormulaC25H25ClFN3O2
Molecular Weight453.95 g/mol
Exact Mass453.16
IUPAC NameN-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cc1Cl
InChIInChI=1S/C25H25ClFN3O2/c1-32-24-8-5-17(13-22(24)26)16-30-11-9-21(10-12-30)29-25(31)19-6-7-23(28-15-19)18-3-2-4-20(27)14-18/h2-8,13-15,21H,9-12,16H2,1H3,(H,29,31)
InChIKeyQAOJEGQLVOUHBX-UHFFFAOYSA-N
XLogP4.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (CID 67268739) is N-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is COc1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cc1Cl.
What is the InChIKey of N-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is QAOJEGQLVOUHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN3O2/c1-32-24-8-5-17(13-22(24)26)16-30-11-9-21(10-12-30)29-25(31)19-6-7-23(28-15-19)18-3-2-4-20(27)14-18/h2-8,13-15,21H,9-12,16H2,1H3,(H,29,31).
What are the key properties of N-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
N-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 453.95 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 67268739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).