2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide

C27H23N7O — CID 139426165

IUPAC2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
SMILESCn1cc(-c2ccc(NC(=O)C(NCCc3ccc(C#N)cc3)c3ccc(C#N)cc3)nc2)cn1
InChIInChI=1S/C27H23N7O/c1-34-18-24(17-32-34)23-10-11-25(31-16-23)33-27(35)26(22-8-6-21(15-29)7-9-22)30-13-12-19-2-4-20(14-28)5-3-19/h2-11,16-18,26,30H,12-13H2,1H3,(H,31,33,35)
InChIKeyYFRRCFOQXGRQFT-UHFFFAOYSA-N
MW461.53 g/mol
LogP3.74
Rot. Bonds8

About 2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide

2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide (PubChem CID 139426165) has the molecular formula C27H23N7O and a molecular weight of 461.53 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
PubChem CID139426165
Molecular FormulaC27H23N7O
Molecular Weight461.53 g/mol
Exact Mass461.20
IUPAC Name2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
SMILESCn1cc(-c2ccc(NC(=O)C(NCCc3ccc(C#N)cc3)c3ccc(C#N)cc3)nc2)cn1
InChIInChI=1S/C27H23N7O/c1-34-18-24(17-32-34)23-10-11-25(31-16-23)33-27(35)26(22-8-6-21(15-29)7-9-22)30-13-12-19-2-4-20(14-28)5-3-19/h2-11,16-18,26,30H,12-13H2,1H3,(H,31,33,35)
InChIKeyYFRRCFOQXGRQFT-UHFFFAOYSA-N
XLogP3.74
TPSA119.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 155597287
(2S)-2-(4-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 160974493
2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 139426164
2-[2-(4-cyanophenyl)ethylamino]-2-(6-methoxycyclohexa-1,5-dien-1-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 155597623
2-[2-(4-chlorophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 139426187
2-[2-(4-cyanophenyl)ethylamino]-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide
CID 139426182
3-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylpropanamide
CID 139426172
2-[2-(4-cyanophenyl)ethylamino]-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 155597426
N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide
CID 139425941
(2S)-2-[2-(4-cyanophenyl)ethylamino]-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-phenylacetamide
CID 139426243
(2S)-2-[2-(3-fluoro-4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 159385072
N-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)acetamide
CID 175622672

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide (CID 139426165) is 2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide is Cn1cc(-c2ccc(NC(=O)C(NCCc3ccc(C#N)cc3)c3ccc(C#N)cc3)nc2)cn1.
What is the InChIKey of 2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?
The InChIKey is YFRRCFOQXGRQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O/c1-34-18-24(17-32-34)23-10-11-25(31-16-23)33-27(35)26(22-8-6-21(15-29)7-9-22)30-13-12-19-2-4-20(14-28)5-3-19/h2-11,16-18,26,30H,12-13H2,1H3,(H,31,33,35).
What are the key properties of 2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?
2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide has a molecular weight of 461.53 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 139426165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).