2-[2-[2-(3-fluorophenyl)ethylamino]-6-[5-(2-hydroxyethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide

C26H25FN4O2S — CID 67101670

IUPAC2-[2-[2-(3-fluorophenyl)ethylamino]-6-[5-(2-hydroxyethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2ccc(CCO)s2)nc1NCCc1cccc(F)c1
InChIInChI=1S/C26H25FN4O2S/c27-19-5-1-3-17(15-19)10-13-30-26-21(24(25(28)33)18-4-2-12-29-16-18)7-8-22(31-26)23-9-6-20(34-23)11-14-32/h1-9,12,15-16,24,32H,10-11,13-14H2,(H2,28,33)(H,30,31)
InChIKeyJKPPXNGRMGJZMG-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.15
Rot. Bonds10

About 2-[2-[2-(3-fluorophenyl)ethylamino]-6-[5-(2-hydroxyethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide

2-[2-[2-(3-fluorophenyl)ethylamino]-6-[5-(2-hydroxyethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67101670) has the molecular formula C26H25FN4O2S and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-[2-[2-(3-fluorophenyl)ethylamino]-6-[5-(2-hydroxyethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-[2-(3-fluorophenyl)ethylamino]-6-[5-(2-hydroxyethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67101670
Molecular FormulaC26H25FN4O2S
Molecular Weight476.58 g/mol
Exact Mass476.17
IUPAC Name2-[2-[2-(3-fluorophenyl)ethylamino]-6-[5-(2-hydroxyethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2ccc(CCO)s2)nc1NCCc1cccc(F)c1
InChIInChI=1S/C26H25FN4O2S/c27-19-5-1-3-17(15-19)10-13-30-26-21(24(25(28)33)18-4-2-12-29-16-18)7-8-22(31-26)23-9-6-20(34-23)11-14-32/h1-9,12,15-16,24,32H,10-11,13-14H2,(H2,28,33)(H,30,31)
InChIKeyJKPPXNGRMGJZMG-UHFFFAOYSA-N
XLogP4.15
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-[5-(2-hydroxyethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-[5-(2-hydroxyethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67101670) is 2-[2-[2-(3-fluorophenyl)ethylamino]-6-[5-(2-hydroxyethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-[5-(2-hydroxyethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-[5-(2-hydroxyethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide is NC(=O)C(c1cccnc1)c1ccc(-c2ccc(CCO)s2)nc1NCCc1cccc(F)c1.
What is the InChIKey of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-[5-(2-hydroxyethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is JKPPXNGRMGJZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2S/c27-19-5-1-3-17(15-19)10-13-30-26-21(24(25(28)33)18-4-2-12-29-16-18)7-8-22(31-26)23-9-6-20(34-23)11-14-32/h1-9,12,15-16,24,32H,10-11,13-14H2,(H2,28,33)(H,30,31).
What are the key properties of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-[5-(2-hydroxyethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[2-[2-(3-fluorophenyl)ethylamino]-6-[5-(2-hydroxyethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 476.58 g/mol, XLogP of 4.15, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-[5-(2-hydroxyethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67101670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).