N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide

C26H26N4O2 — CID 70692760

IUPACN-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2c(C)nn(C)c2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C26H26N4O2/c1-17-8-9-21(25-18(2)29-30(4)19(25)3)15-24(17)28-26(31)20-10-12-23(13-11-20)32-16-22-7-5-6-14-27-22/h5-15H,16H2,1-4H3,(H,28,31)
InChIKeySBHODUNGGJKTHR-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.24
Rot. Bonds6

About N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide

N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 70692760) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID70692760
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2c(C)nn(C)c2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C26H26N4O2/c1-17-8-9-21(25-18(2)29-30(4)19(25)3)15-24(17)28-26(31)20-10-12-23(13-11-20)32-16-22-7-5-6-14-27-22/h5-15H,16H2,1-4H3,(H,28,31)
InChIKeySBHODUNGGJKTHR-UHFFFAOYSA-N
XLogP5.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide (CID 70692760) is N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide is Cc1ccc(-c2c(C)nn(C)c2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is SBHODUNGGJKTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-17-8-9-21(25-18(2)29-30(4)19(25)3)15-24(17)28-26(31)20-10-12-23(13-11-20)32-16-22-7-5-6-14-27-22/h5-15H,16H2,1-4H3,(H,28,31).
What are the key properties of N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 426.52 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 70692760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).