N-(2-methyl-5-pyridin-4-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide

C25H21N3O2 — CID 70694801

IUPACN-(2-methyl-5-pyridin-4-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C25H21N3O2/c1-18-5-6-21(19-11-14-26-15-12-19)16-24(18)28-25(29)20-7-9-23(10-8-20)30-17-22-4-2-3-13-27-22/h2-16H,17H2,1H3,(H,28,29)
InChIKeyKIMWGVLICFOIOM-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.28
Rot. Bonds6

About N-(2-methyl-5-pyridin-4-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide

N-(2-methyl-5-pyridin-4-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 70694801) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2-methyl-5-pyridin-4-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-methyl-5-pyridin-4-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID70694801
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-(2-methyl-5-pyridin-4-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C25H21N3O2/c1-18-5-6-21(19-11-14-26-15-12-19)16-24(18)28-25(29)20-7-9-23(10-8-20)30-17-22-4-2-3-13-27-22/h2-16H,17H2,1H3,(H,28,29)
InChIKeyKIMWGVLICFOIOM-UHFFFAOYSA-N
XLogP5.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-pyridin-4-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-(2-methyl-5-pyridin-4-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide (CID 70694801) is N-(2-methyl-5-pyridin-4-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-methyl-5-pyridin-4-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-(2-methyl-5-pyridin-4-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide is Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-(2-methyl-5-pyridin-4-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is KIMWGVLICFOIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-18-5-6-21(19-11-14-26-15-12-19)16-24(18)28-25(29)20-7-9-23(10-8-20)30-17-22-4-2-3-13-27-22/h2-16H,17H2,1H3,(H,28,29).
What are the key properties of N-(2-methyl-5-pyridin-4-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide?
N-(2-methyl-5-pyridin-4-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 395.46 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-pyridin-4-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 70694801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).