N-(4-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide

C18H20N2O3 — CID 24982529

IUPACN-(4-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(OCC3CCCO3)cc2)c1
InChIInChI=1S/C18H20N2O3/c1-13-8-9-19-17(11-13)20-18(21)14-4-6-15(7-5-14)23-12-16-3-2-10-22-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,19,20,21)
InChIKeyCTKIXPRBVUTELD-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.20
Rot. Bonds5

About N-(4-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide

N-(4-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 24982529) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID24982529
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(4-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(OCC3CCCO3)cc2)c1
InChIInChI=1S/C18H20N2O3/c1-13-8-9-19-17(11-13)20-18(21)14-4-6-15(7-5-14)23-12-16-3-2-10-22-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,19,20,21)
InChIKeyCTKIXPRBVUTELD-UHFFFAOYSA-N
XLogP3.20
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide (CID 24982529) is N-(4-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide is Cc1ccnc(NC(=O)c2ccc(OCC3CCCO3)cc2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is CTKIXPRBVUTELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-8-9-19-17(11-13)20-18(21)14-4-6-15(7-5-14)23-12-16-3-2-10-22-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,19,20,21).
What are the key properties of N-(4-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide?
N-(4-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 24982529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).