2-[6-(2-cyanophenyl)-2-[2-(3,5-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

C27H21F2N5O — CID 67101980

IUPAC2-[6-(2-cyanophenyl)-2-[2-(3,5-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESN#Cc1ccccc1-c1ccc(C(C(N)=O)c2cccnc2)c(NCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C27H21F2N5O/c28-20-12-17(13-21(29)14-20)9-11-33-27-23(25(26(31)35)19-5-3-10-32-16-19)7-8-24(34-27)22-6-2-1-4-18(22)15-30/h1-8,10,12-14,16,25H,9,11H2,(H2,31,35)(H,33,34)
InChIKeyVRILYLYFBNNTGA-UHFFFAOYSA-N
MW469.50 g/mol
LogP4.57
Rot. Bonds8

About 2-[6-(2-cyanophenyl)-2-[2-(3,5-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

2-[6-(2-cyanophenyl)-2-[2-(3,5-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67101980) has the molecular formula C27H21F2N5O and a molecular weight of 469.50 g/mol. Its IUPAC name is 2-[6-(2-cyanophenyl)-2-[2-(3,5-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[6-(2-cyanophenyl)-2-[2-(3,5-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67101980
Molecular FormulaC27H21F2N5O
Molecular Weight469.50 g/mol
Exact Mass469.17
IUPAC Name2-[6-(2-cyanophenyl)-2-[2-(3,5-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESN#Cc1ccccc1-c1ccc(C(C(N)=O)c2cccnc2)c(NCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C27H21F2N5O/c28-20-12-17(13-21(29)14-20)9-11-33-27-23(25(26(31)35)19-5-3-10-32-16-19)7-8-24(34-27)22-6-2-1-4-18(22)15-30/h1-8,10,12-14,16,25H,9,11H2,(H2,31,35)(H,33,34)
InChIKeyVRILYLYFBNNTGA-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-(3,5-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[6-(2-cyanophenyl)-2-[2-(3,5-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67101980) is 2-[6-(2-cyanophenyl)-2-[2-(3,5-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[6-(2-cyanophenyl)-2-[2-(3,5-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[6-(2-cyanophenyl)-2-[2-(3,5-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is N#Cc1ccccc1-c1ccc(C(C(N)=O)c2cccnc2)c(NCCc2cc(F)cc(F)c2)n1.
What is the InChIKey of 2-[6-(2-cyanophenyl)-2-[2-(3,5-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is VRILYLYFBNNTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N5O/c28-20-12-17(13-21(29)14-20)9-11-33-27-23(25(26(31)35)19-5-3-10-32-16-19)7-8-24(34-27)22-6-2-1-4-18(22)15-30/h1-8,10,12-14,16,25H,9,11H2,(H2,31,35)(H,33,34).
What are the key properties of 2-[6-(2-cyanophenyl)-2-[2-(3,5-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[6-(2-cyanophenyl)-2-[2-(3,5-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-(3,5-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67101980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).