2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide

C30H37FN6O — CID 67188799

IUPAC2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(N2CCC(N3CCCCC3)CC2)nc1NCCc1cccc(F)c1
InChIInChI=1S/C30H37FN6O/c31-24-8-4-6-22(20-24)11-15-34-30-26(28(29(32)38)23-7-5-14-33-21-23)9-10-27(35-30)37-18-12-25(13-19-37)36-16-2-1-3-17-36/h4-10,14,20-21,25,28H,1-3,11-13,15-19H2,(H2,32,38)(H,34,35)
InChIKeyIKTZVCUXCCOQNT-UHFFFAOYSA-N
MW516.67 g/mol
LogP4.34
Rot. Bonds9

About 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide

2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67188799) has the molecular formula C30H37FN6O and a molecular weight of 516.67 g/mol. Its IUPAC name is 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67188799
Molecular FormulaC30H37FN6O
Molecular Weight516.67 g/mol
Exact Mass516.30
IUPAC Name2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(N2CCC(N3CCCCC3)CC2)nc1NCCc1cccc(F)c1
InChIInChI=1S/C30H37FN6O/c31-24-8-4-6-22(20-24)11-15-34-30-26(28(29(32)38)23-7-5-14-33-21-23)9-10-27(35-30)37-18-12-25(13-19-37)36-16-2-1-3-17-36/h4-10,14,20-21,25,28H,1-3,11-13,15-19H2,(H2,32,38)(H,34,35)
InChIKeyIKTZVCUXCCOQNT-UHFFFAOYSA-N
XLogP4.34
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.67
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67188799) is 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide is NC(=O)C(c1cccnc1)c1ccc(N2CCC(N3CCCCC3)CC2)nc1NCCc1cccc(F)c1.
What is the InChIKey of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is IKTZVCUXCCOQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN6O/c31-24-8-4-6-22(20-24)11-15-34-30-26(28(29(32)38)23-7-5-14-33-21-23)9-10-27(35-30)37-18-12-25(13-19-37)36-16-2-1-3-17-36/h4-10,14,20-21,25,28H,1-3,11-13,15-19H2,(H2,32,38)(H,34,35).
What are the key properties of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 516.67 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67188799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).