N-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide

C29H31N5O3 — CID 154694146

IUPACN-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide
SMILESCC(=O)N1CCC(Oc2ccc(NC(=O)C(NCCc3ccc(C#N)cc3)c3ccccc3)nc2)CC1
InChIInChI=1S/C29H31N5O3/c1-21(35)34-17-14-25(15-18-34)37-26-11-12-27(32-20-26)33-29(36)28(24-5-3-2-4-6-24)31-16-13-22-7-9-23(19-30)10-8-22/h2-12,20,25,28,31H,13-18H2,1H3,(H,32,33,36)
InChIKeyPXRKCMJPKILRSA-UHFFFAOYSA-N
MW497.60 g/mol
LogP3.86
Rot. Bonds9

About N-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide

N-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide (PubChem CID 154694146) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide
PubChem CID154694146
Molecular FormulaC29H31N5O3
Molecular Weight497.60 g/mol
Exact Mass497.24
IUPAC NameN-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide
SMILESCC(=O)N1CCC(Oc2ccc(NC(=O)C(NCCc3ccc(C#N)cc3)c3ccccc3)nc2)CC1
InChIInChI=1S/C29H31N5O3/c1-21(35)34-17-14-25(15-18-34)37-26-11-12-27(32-20-26)33-29(36)28(24-5-3-2-4-6-24)31-16-13-22-7-9-23(19-30)10-8-22/h2-12,20,25,28,31H,13-18H2,1H3,(H,32,33,36)
InChIKeyPXRKCMJPKILRSA-UHFFFAOYSA-N
XLogP3.86
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(1-acetylpiperidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide
CID 175622897
N-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)acetamide
CID 175622672
(2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenyl-N-(5-pyrazolidin-4-yl-2-pyridinyl)acetamide
CID 164515055
2-[2-(4-cyanophenyl)ethylamino]-N-[5-(3-ethyl-2-oxoimidazolidin-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 139426462
(2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)azetidin-3-yl]oxy-2-pyridinyl]-2-phenylacetamide
CID 175623239
(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide
CID 165021666
(2S)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(4-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 139426010
N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide
CID 164756425
2-[2-(4-cyanophenyl)ethylamino]-N-[5-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]-2-phenylacetamide
CID 155597525
2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 139426165
2-[2-(4-cyanophenyl)ethylamino]-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide
CID 139426182
2-[4-[6-[[2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]phenyl]-2,2-difluoroacetic acid
CID 178082086

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide?
The IUPAC name of N-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide (CID 154694146) is N-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide.
What is the SMILES notation for N-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide?
The canonical SMILES for N-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide is CC(=O)N1CCC(Oc2ccc(NC(=O)C(NCCc3ccc(C#N)cc3)c3ccccc3)nc2)CC1.
What is the InChIKey of N-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide?
The InChIKey is PXRKCMJPKILRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-21(35)34-17-14-25(15-18-34)37-26-11-12-27(32-20-26)33-29(36)28(24-5-3-2-4-6-24)31-16-13-22-7-9-23(19-30)10-8-22/h2-12,20,25,28,31H,13-18H2,1H3,(H,32,33,36).
What are the key properties of N-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide?
N-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide has a molecular weight of 497.60 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide is sourced from PubChem (CID 154694146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).