3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-(4-propan-2-ylphenyl)benzamide

C29H29N3O2 — CID 58396529

IUPAC3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-(4-propan-2-ylphenyl)benzamide
SMILESCCc1cc(-c2cccnc2Oc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)ccn1
InChIInChI=1S/C29H29N3O2/c1-5-24-17-22(14-16-30-24)26-7-6-15-31-29(26)34-27-18-23(9-8-20(27)4)28(33)32-25-12-10-21(11-13-25)19(2)3/h6-19H,5H2,1-4H3,(H,32,33)
InChIKeyYYGRGVAVULUYGD-UHFFFAOYSA-N
MW451.57 g/mol
LogP7.18
Rot. Bonds7

About 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-(4-propan-2-ylphenyl)benzamide

3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 58396529) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-(4-propan-2-ylphenyl)benzamide
PubChem CID58396529
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC Name3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-(4-propan-2-ylphenyl)benzamide
SMILESCCc1cc(-c2cccnc2Oc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)ccn1
InChIInChI=1S/C29H29N3O2/c1-5-24-17-22(14-16-30-24)26-7-6-15-31-29(26)34-27-18-23(9-8-20(27)4)28(33)32-25-12-10-21(11-13-25)19(2)3/h6-19H,5H2,1-4H3,(H,32,33)
InChIKeyYYGRGVAVULUYGD-UHFFFAOYSA-N
XLogP7.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 26585658
4-methyl-N-(3-propan-2-ylphenyl)-3-[[3-(4-propyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]benzamide
CID 58396738
N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]benzamide
CID 58588476
2-N-(3,4-dimethylphenyl)-4-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109091918
N-(3-ethoxyphenyl)-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-2-fluorobenzamide
CID 58397317
N-(3,5-dichlorophenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide
CID 58587888
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730066
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
CID 58396999
4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092487
2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109167231
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-(2-methoxyphenyl)-4-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]benzamide
CID 58588511

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-(4-propan-2-ylphenyl)benzamide (CID 58396529) is 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-(4-propan-2-ylphenyl)benzamide is CCc1cc(-c2cccnc2Oc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)ccn1.
What is the InChIKey of 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is YYGRGVAVULUYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-5-24-17-22(14-16-30-24)26-7-6-15-31-29(26)34-27-18-23(9-8-20(27)4)28(33)32-25-12-10-21(11-13-25)19(2)3/h6-19H,5H2,1-4H3,(H,32,33).
What are the key properties of 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-(4-propan-2-ylphenyl)benzamide?
3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 451.57 g/mol, XLogP of 7.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 58396529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).