2-[6-(2-cyanophenyl)-2-[2-(2,3-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

C27H21F2N5O — CID 67101907

IUPAC2-[6-(2-cyanophenyl)-2-[2-(2,3-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESN#Cc1ccccc1-c1ccc(C(C(N)=O)c2cccnc2)c(NCCc2cccc(F)c2F)n1
InChIInChI=1S/C27H21F2N5O/c28-22-9-3-6-17(25(22)29)12-14-33-27-21(24(26(31)35)19-7-4-13-32-16-19)10-11-23(34-27)20-8-2-1-5-18(20)15-30/h1-11,13,16,24H,12,14H2,(H2,31,35)(H,33,34)
InChIKeyMTOZAGGPZDRDQF-UHFFFAOYSA-N
MW469.50 g/mol
LogP4.57
Rot. Bonds8

About 2-[6-(2-cyanophenyl)-2-[2-(2,3-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

2-[6-(2-cyanophenyl)-2-[2-(2,3-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67101907) has the molecular formula C27H21F2N5O and a molecular weight of 469.50 g/mol. Its IUPAC name is 2-[6-(2-cyanophenyl)-2-[2-(2,3-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[6-(2-cyanophenyl)-2-[2-(2,3-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67101907
Molecular FormulaC27H21F2N5O
Molecular Weight469.50 g/mol
Exact Mass469.17
IUPAC Name2-[6-(2-cyanophenyl)-2-[2-(2,3-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESN#Cc1ccccc1-c1ccc(C(C(N)=O)c2cccnc2)c(NCCc2cccc(F)c2F)n1
InChIInChI=1S/C27H21F2N5O/c28-22-9-3-6-17(25(22)29)12-14-33-27-21(24(26(31)35)19-7-4-13-32-16-19)10-11-23(34-27)20-8-2-1-5-18(20)15-30/h1-11,13,16,24H,12,14H2,(H2,31,35)(H,33,34)
InChIKeyMTOZAGGPZDRDQF-UHFFFAOYSA-N
XLogP4.57
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-cyanophenyl)-2-[2-(2,3-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[6-(2-cyanophenyl)-2-[2-(2,3-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67101907) is 2-[6-(2-cyanophenyl)-2-[2-(2,3-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[6-(2-cyanophenyl)-2-[2-(2,3-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[6-(2-cyanophenyl)-2-[2-(2,3-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is N#Cc1ccccc1-c1ccc(C(C(N)=O)c2cccnc2)c(NCCc2cccc(F)c2F)n1.
What is the InChIKey of 2-[6-(2-cyanophenyl)-2-[2-(2,3-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is MTOZAGGPZDRDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N5O/c28-22-9-3-6-17(25(22)29)12-14-33-27-21(24(26(31)35)19-7-4-13-32-16-19)10-11-23(34-27)20-8-2-1-5-18(20)15-30/h1-11,13,16,24H,12,14H2,(H2,31,35)(H,33,34).
What are the key properties of 2-[6-(2-cyanophenyl)-2-[2-(2,3-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[6-(2-cyanophenyl)-2-[2-(2,3-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 469.50 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-cyanophenyl)-2-[2-(2,3-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67101907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).