N-methyl-N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide

C26H25N5O2 — CID 11633551

IUPACN-methyl-N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide
SMILESCN(C(=O)c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1)C1CCOCC1
InChIInChI=1S/C26H25N5O2/c1-31(21-10-14-33-15-11-21)26(32)19-7-5-18(6-8-19)24-16-20(9-13-28-24)22-17-29-30-25(22)23-4-2-3-12-27-23/h2-9,12-13,16-17,21H,10-11,14-15H2,1H3,(H,29,30)
InChIKeyJFEVDWTYRZEZLZ-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.45
Rot. Bonds5

About N-methyl-N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide

N-methyl-N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide (PubChem CID 11633551) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide
PubChem CID11633551
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-methyl-N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide
SMILESCN(C(=O)c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1)C1CCOCC1
InChIInChI=1S/C26H25N5O2/c1-31(21-10-14-33-15-11-21)26(32)19-7-5-18(6-8-19)24-16-20(9-13-28-24)22-17-29-30-25(22)23-4-2-3-12-27-23/h2-9,12-13,16-17,21H,10-11,14-15H2,1H3,(H,29,30)
InChIKeyJFEVDWTYRZEZLZ-UHFFFAOYSA-N
XLogP4.45
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide?
The IUPAC name of N-methyl-N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide (CID 11633551) is N-methyl-N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide is CN(C(=O)c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1)C1CCOCC1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide?
The InChIKey is JFEVDWTYRZEZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-31(21-10-14-33-15-11-21)26(32)19-7-5-18(6-8-19)24-16-20(9-13-28-24)22-17-29-30-25(22)23-4-2-3-12-27-23/h2-9,12-13,16-17,21H,10-11,14-15H2,1H3,(H,29,30).
What are the key properties of N-methyl-N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide?
N-methyl-N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide has a molecular weight of 439.52 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 11633551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).