6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide

C32H33N3O2 — CID 59729978

IUPAC6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CCN3CCC(C(c4ccccc4)c4ccccc4)CC3)cc2)nc1
InChIInChI=1S/C32H33N3O2/c33-32(36)28-13-16-30(34-23-28)37-29-14-11-24(12-15-29)17-20-35-21-18-27(19-22-35)31(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-16,23,27,31H,17-22H2,(H2,33,36)
InChIKeyLNVDDSKTYRRMBM-UHFFFAOYSA-N
MW491.64 g/mol
LogP6.06
Rot. Bonds9

About 6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide

6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 59729978) has the molecular formula C32H33N3O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID59729978
Molecular FormulaC32H33N3O2
Molecular Weight491.64 g/mol
Exact Mass491.26
IUPAC Name6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CCN3CCC(C(c4ccccc4)c4ccccc4)CC3)cc2)nc1
InChIInChI=1S/C32H33N3O2/c33-32(36)28-13-16-30(34-23-28)37-29-14-11-24(12-15-29)17-20-35-21-18-27(19-22-35)31(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-16,23,27,31H,17-22H2,(H2,33,36)
InChIKeyLNVDDSKTYRRMBM-UHFFFAOYSA-N
XLogP6.06
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide
CID 59730242
6-[4-[[(3R)-1-benzylpyrrolidin-3-yl]iodanuidylmethyl]phenoxy]pyridine-3-carboxamide
CID 147824690
6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 59730169
S-amino 6-[4-(2-morpholin-4-ylethyl)phenoxy]pyridine-3-carbothioate;ethane
CID 142876359
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68748065
6-[4-[(2R)-2-aminopropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 22087128
6-[4-[2-[(4-hydroxycyclohexyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 59730239
6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 90911796
6-[4-[2-[cyclopentyl(propyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 91471625
6-[4-[2-[(2-hydroxycyclopentyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68750412

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide (CID 59729978) is 6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(CCN3CCC(C(c4ccccc4)c4ccccc4)CC3)cc2)nc1.
What is the InChIKey of 6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is LNVDDSKTYRRMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O2/c33-32(36)28-13-16-30(34-23-28)37-29-14-11-24(12-15-29)17-20-35-21-18-27(19-22-35)31(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-16,23,27,31H,17-22H2,(H2,33,36).
What are the key properties of 6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide?
6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 6.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59729978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).