6-methyl-N-[5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide

C21H19N3O2 — CID 129240125

IUPAC6-methyl-N-[5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cccc(C4COC4)c3)cn2)cn1
InChIInChI=1S/C21H19N3O2/c1-14-5-6-18(11-22-14)21(25)24-20-8-7-17(10-23-20)15-3-2-4-16(9-15)19-12-26-13-19/h2-11,19H,12-13H2,1H3,(H,23,24,25)
InChIKeyUQJISWFTNFLDIX-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.82
Rot. Bonds4

About 6-methyl-N-[5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide

6-methyl-N-[5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 129240125) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 6-methyl-N-[5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID129240125
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name6-methyl-N-[5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cccc(C4COC4)c3)cn2)cn1
InChIInChI=1S/C21H19N3O2/c1-14-5-6-18(11-22-14)21(25)24-20-8-7-17(10-23-20)15-3-2-4-16(9-15)19-12-26-13-19/h2-11,19H,12-13H2,1H3,(H,23,24,25)
InChIKeyUQJISWFTNFLDIX-UHFFFAOYSA-N
XLogP3.82
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide (CID 129240125) is 6-methyl-N-[5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(-c3cccc(C4COC4)c3)cn2)cn1.
What is the InChIKey of 6-methyl-N-[5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is UQJISWFTNFLDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-5-6-18(11-22-14)21(25)24-20-8-7-17(10-23-20)15-3-2-4-16(9-15)19-12-26-13-19/h2-11,19H,12-13H2,1H3,(H,23,24,25).
What are the key properties of 6-methyl-N-[5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide?
6-methyl-N-[5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 129240125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).