N-[(4-cyanophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide

C26H24N6O2 — CID 141482484

IUPACN-[(4-cyanophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide
SMILESCC(Oc1ccnc(Nc2cnn(C)c2)c1)c1cccc(C(=O)NCc2ccc(C#N)cc2)c1
InChIInChI=1S/C26H24N6O2/c1-18(34-24-10-11-28-25(13-24)31-23-16-30-32(2)17-23)21-4-3-5-22(12-21)26(33)29-15-20-8-6-19(14-27)7-9-20/h3-13,16-18H,15H2,1-2H3,(H,28,31)(H,29,33)
InChIKeyZHYXFPXSSBDCDD-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.50
Rot. Bonds8

About N-[(4-cyanophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide

N-[(4-cyanophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide (PubChem CID 141482484) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide
PubChem CID141482484
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC NameN-[(4-cyanophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide
SMILESCC(Oc1ccnc(Nc2cnn(C)c2)c1)c1cccc(C(=O)NCc2ccc(C#N)cc2)c1
InChIInChI=1S/C26H24N6O2/c1-18(34-24-10-11-28-25(13-24)31-23-16-30-32(2)17-23)21-4-3-5-22(12-21)26(33)29-15-20-8-6-19(14-27)7-9-20/h3-13,16-18H,15H2,1-2H3,(H,28,31)(H,29,33)
InChIKeyZHYXFPXSSBDCDD-UHFFFAOYSA-N
XLogP4.50
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide (CID 141482484) is N-[(4-cyanophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide is CC(Oc1ccnc(Nc2cnn(C)c2)c1)c1cccc(C(=O)NCc2ccc(C#N)cc2)c1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide?
The InChIKey is ZHYXFPXSSBDCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-18(34-24-10-11-28-25(13-24)31-23-16-30-32(2)17-23)21-4-3-5-22(12-21)26(33)29-15-20-8-6-19(14-27)7-9-20/h3-13,16-18H,15H2,1-2H3,(H,28,31)(H,29,33).
What are the key properties of N-[(4-cyanophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide?
N-[(4-cyanophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide has a molecular weight of 452.52 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide is sourced from PubChem (CID 141482484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).