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

C27H26N6O — CID 155597287

IUPAC2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
SMILESCc1ccc(C(NCCc2ccc(C#N)cc2)C(=O)Nc2ccc(-c3cnn(C)c3)cn2)cc1
InChIInChI=1S/C27H26N6O/c1-19-3-9-22(10-4-19)26(29-14-13-20-5-7-21(15-28)8-6-20)27(34)32-25-12-11-23(16-30-25)24-17-31-33(2)18-24/h3-12,16-18,26,29H,13-14H2,1-2H3,(H,30,32,34)
InChIKeyYZULWBPJGAGRAS-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.17
Rot. Bonds8

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

2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide (PubChem CID 155597287) has the molecular formula C27H26N6O and a molecular weight of 450.55 g/mol. Its IUPAC name is 2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
PubChem CID155597287
Molecular FormulaC27H26N6O
Molecular Weight450.55 g/mol
Exact Mass450.22
IUPAC Name2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
SMILESCc1ccc(C(NCCc2ccc(C#N)cc2)C(=O)Nc2ccc(-c3cnn(C)c3)cn2)cc1
InChIInChI=1S/C27H26N6O/c1-19-3-9-22(10-4-19)26(29-14-13-20-5-7-21(15-28)8-6-20)27(34)32-25-12-11-23(16-30-25)24-17-31-33(2)18-24/h3-12,16-18,26,29H,13-14H2,1-2H3,(H,30,32,34)
InChIKeyYZULWBPJGAGRAS-UHFFFAOYSA-N
XLogP4.17
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 160974493
2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 139426165
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
N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide
CID 139425941
2-[2-(4-cyanophenyl)ethylamino]-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 155597426
3-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylpropanamide
CID 139426172
(2S)-2-[2-(3-fluoro-4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 159385072
5-(4-cyanophenyl)-2-(3-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pentanamide
CID 158240916
(2S)-2-[2-(4-cyanophenyl)ethylamino]-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-phenylacetamide
CID 139426243

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide (CID 155597287) is 2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide is Cc1ccc(C(NCCc2ccc(C#N)cc2)C(=O)Nc2ccc(-c3cnn(C)c3)cn2)cc1.
What is the InChIKey of 2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?
The InChIKey is YZULWBPJGAGRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O/c1-19-3-9-22(10-4-19)26(29-14-13-20-5-7-21(15-28)8-6-20)27(34)32-25-12-11-23(16-30-25)24-17-31-33(2)18-24/h3-12,16-18,26,29H,13-14H2,1-2H3,(H,30,32,34).
What are the key properties of 2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?
2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide has a molecular weight of 450.55 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 155597287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).