2-phenyl-N-[5-[4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]oxy]piperidin-1-yl]-2-pyridinyl]acetamide

C31H31N5O3 — CID 121256444

IUPAC2-phenyl-N-[5-[4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]oxy]piperidin-1-yl]-2-pyridinyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(OC2CCN(c3ccc(NC(=O)Cc4ccccc4)nc3)CC2)cn1
InChIInChI=1S/C31H31N5O3/c37-30(19-23-7-3-1-4-8-23)34-28-13-11-25(21-32-28)36-17-15-26(16-18-36)39-27-12-14-29(33-22-27)35-31(38)20-24-9-5-2-6-10-24/h1-14,21-22,26H,15-20H2,(H,32,34,37)(H,33,35,38)
InChIKeyALKDYNUANDYLPM-UHFFFAOYSA-N
MW521.62 g/mol
LogP4.89
Rot. Bonds9

About 2-phenyl-N-[5-[4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]oxy]piperidin-1-yl]-2-pyridinyl]acetamide

2-phenyl-N-[5-[4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]oxy]piperidin-1-yl]-2-pyridinyl]acetamide (PubChem CID 121256444) has the molecular formula C31H31N5O3 and a molecular weight of 521.62 g/mol. Its IUPAC name is 2-phenyl-N-[5-[4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]oxy]piperidin-1-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[5-[4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]oxy]piperidin-1-yl]-2-pyridinyl]acetamide
PubChem CID121256444
Molecular FormulaC31H31N5O3
Molecular Weight521.62 g/mol
Exact Mass521.24
IUPAC Name2-phenyl-N-[5-[4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]oxy]piperidin-1-yl]-2-pyridinyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(OC2CCN(c3ccc(NC(=O)Cc4ccccc4)nc3)CC2)cn1
InChIInChI=1S/C31H31N5O3/c37-30(19-23-7-3-1-4-8-23)34-28-13-11-25(21-32-28)36-17-15-26(16-18-36)39-27-12-14-29(33-22-27)35-31(38)20-24-9-5-2-6-10-24/h1-14,21-22,26H,15-20H2,(H,32,34,37)(H,33,35,38)
InChIKeyALKDYNUANDYLPM-UHFFFAOYSA-N
XLogP4.89
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.62
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[5-[4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]oxy]piperidin-1-yl]-2-pyridinyl]acetamide?
The IUPAC name of 2-phenyl-N-[5-[4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]oxy]piperidin-1-yl]-2-pyridinyl]acetamide (CID 121256444) is 2-phenyl-N-[5-[4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]oxy]piperidin-1-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[5-[4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]oxy]piperidin-1-yl]-2-pyridinyl]acetamide?
The canonical SMILES for 2-phenyl-N-[5-[4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]oxy]piperidin-1-yl]-2-pyridinyl]acetamide is O=C(Cc1ccccc1)Nc1ccc(OC2CCN(c3ccc(NC(=O)Cc4ccccc4)nc3)CC2)cn1.
What is the InChIKey of 2-phenyl-N-[5-[4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]oxy]piperidin-1-yl]-2-pyridinyl]acetamide?
The InChIKey is ALKDYNUANDYLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O3/c37-30(19-23-7-3-1-4-8-23)34-28-13-11-25(21-32-28)36-17-15-26(16-18-36)39-27-12-14-29(33-22-27)35-31(38)20-24-9-5-2-6-10-24/h1-14,21-22,26H,15-20H2,(H,32,34,37)(H,33,35,38).
What are the key properties of 2-phenyl-N-[5-[4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]oxy]piperidin-1-yl]-2-pyridinyl]acetamide?
2-phenyl-N-[5-[4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]oxy]piperidin-1-yl]-2-pyridinyl]acetamide has a molecular weight of 521.62 g/mol, XLogP of 4.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[5-[4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]oxy]piperidin-1-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121256444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).