2-[2-(4-cyano-2,6-difluorophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide

C26H24F2N6O — CID 155597515

IUPAC2-[2-(4-cyano-2,6-difluorophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
SMILESCn1cc(-c2ccc(NC(=O)C(NCCc3c(F)cc(C#N)cc3F)C3=CCCC=C3)nc2)cn1
InChIInChI=1S/C26H24F2N6O/c1-34-16-20(15-32-34)19-7-8-24(31-14-19)33-26(35)25(18-5-3-2-4-6-18)30-10-9-21-22(27)11-17(13-29)12-23(21)28/h3,5-8,11-12,14-16,25,30H,2,4,9-10H2,1H3,(H,31,33,35)
InChIKeyRBWLBNKSRLDSFB-UHFFFAOYSA-N
MW474.52 g/mol
LogP4.05
Rot. Bonds8

About 2-[2-(4-cyano-2,6-difluorophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide

2-[2-(4-cyano-2,6-difluorophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide (PubChem CID 155597515) has the molecular formula C26H24F2N6O and a molecular weight of 474.52 g/mol. Its IUPAC name is 2-[2-(4-cyano-2,6-difluorophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-cyano-2,6-difluorophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
PubChem CID155597515
Molecular FormulaC26H24F2N6O
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name2-[2-(4-cyano-2,6-difluorophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
SMILESCn1cc(-c2ccc(NC(=O)C(NCCc3c(F)cc(C#N)cc3F)C3=CCCC=C3)nc2)cn1
InChIInChI=1S/C26H24F2N6O/c1-34-16-20(15-32-34)19-7-8-24(31-14-19)33-26(35)25(18-5-3-2-4-6-18)30-10-9-21-22(27)11-17(13-29)12-23(21)28/h3,5-8,11-12,14-16,25,30H,2,4,9-10H2,1H3,(H,31,33,35)
InChIKeyRBWLBNKSRLDSFB-UHFFFAOYSA-N
XLogP4.05
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(4-cyano-2,6-difluorophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-cyanophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide
CID 155597372
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-(6-methoxycyclohexa-1,5-dien-1-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 155597623
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-cyclohexa-1,5-dien-1-yl-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;3-fluoro-4-[1-(methylamino)propan-2-yl]benzonitrile
CID 155597294
2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide
CID 155597348
2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 155597281
2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 139426164
(2S)-2-[2-(3-fluoro-4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 159385072
2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide
CID 155597597
2-[2-(4-chlorophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 139426187

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyano-2,6-difluorophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[2-(4-cyano-2,6-difluorophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide (CID 155597515) is 2-[2-(4-cyano-2,6-difluorophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[2-(4-cyano-2,6-difluorophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[2-(4-cyano-2,6-difluorophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide is Cn1cc(-c2ccc(NC(=O)C(NCCc3c(F)cc(C#N)cc3F)C3=CCCC=C3)nc2)cn1.
What is the InChIKey of 2-[2-(4-cyano-2,6-difluorophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?
The InChIKey is RBWLBNKSRLDSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N6O/c1-34-16-20(15-32-34)19-7-8-24(31-14-19)33-26(35)25(18-5-3-2-4-6-18)30-10-9-21-22(27)11-17(13-29)12-23(21)28/h3,5-8,11-12,14-16,25,30H,2,4,9-10H2,1H3,(H,31,33,35).
What are the key properties of 2-[2-(4-cyano-2,6-difluorophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?
2-[2-(4-cyano-2,6-difluorophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide has a molecular weight of 474.52 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyano-2,6-difluorophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 155597515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).