N-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide

C18H15N3O2 — CID 51033560

IUPACN-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide
SMILESCc1cccc(NC(=O)c2cccc(Oc3cccnc3)c2)n1
InChIInChI=1S/C18H15N3O2/c1-13-5-2-9-17(20-13)21-18(22)14-6-3-7-15(11-14)23-16-8-4-10-19-12-16/h2-12H,1H3,(H,20,21,22)
InChIKeyDUGLCCCEFLLNPV-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.83
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide

N-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide (PubChem CID 51033560) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide
PubChem CID51033560
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide
SMILESCc1cccc(NC(=O)c2cccc(Oc3cccnc3)c2)n1
InChIInChI=1S/C18H15N3O2/c1-13-5-2-9-17(20-13)21-18(22)14-6-3-7-15(11-14)23-16-8-4-10-19-12-16/h2-12H,1H3,(H,20,21,22)
InChIKeyDUGLCCCEFLLNPV-UHFFFAOYSA-N
XLogP3.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide (CID 51033560) is N-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide is Cc1cccc(NC(=O)c2cccc(Oc3cccnc3)c2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide?
The InChIKey is DUGLCCCEFLLNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-13-5-2-9-17(20-13)21-18(22)14-6-3-7-15(11-14)23-16-8-4-10-19-12-16/h2-12H,1H3,(H,20,21,22).
What are the key properties of N-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide?
N-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide has a molecular weight of 305.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide is sourced from PubChem (CID 51033560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).