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

C24H22Cl2FN3O2 — CID 67267361

IUPACN-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2cc(Cl)c(O)c(Cl)c2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H22Cl2FN3O2/c25-20-10-15(11-21(26)23(20)31)14-30-8-6-19(7-9-30)29-24(32)17-4-5-22(28-13-17)16-2-1-3-18(27)12-16/h1-5,10-13,19,31H,6-9,14H2,(H,29,32)
InChIKeyRNFNEKLNYPGXEB-UHFFFAOYSA-N
MW474.36 g/mol
LogP5.29
Rot. Bonds5

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

N-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 67267361) has the molecular formula C24H22Cl2FN3O2 and a molecular weight of 474.36 g/mol. Its IUPAC name is N-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID67267361
Molecular FormulaC24H22Cl2FN3O2
Molecular Weight474.36 g/mol
Exact Mass473.11
IUPAC NameN-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2cc(Cl)c(O)c(Cl)c2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H22Cl2FN3O2/c25-20-10-15(11-21(26)23(20)31)14-30-8-6-19(7-9-30)29-24(32)17-4-5-22(28-13-17)16-2-1-3-18(27)12-16/h1-5,10-13,19,31H,6-9,14H2,(H,29,32)
InChIKeyRNFNEKLNYPGXEB-UHFFFAOYSA-N
XLogP5.29
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.36
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (CID 67267361) is N-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is O=C(NC1CCN(Cc2cc(Cl)c(O)c(Cl)c2)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of N-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is RNFNEKLNYPGXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2FN3O2/c25-20-10-15(11-21(26)23(20)31)14-30-8-6-19(7-9-30)29-24(32)17-4-5-22(28-13-17)16-2-1-3-18(27)12-16/h1-5,10-13,19,31H,6-9,14H2,(H,29,32).
What are the key properties of N-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
N-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 474.36 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 67267361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).