4-tert-butyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzamide

C21H21N3O2 — CID 2800172

IUPAC4-tert-butyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3cccnc3)nc2)cc1
InChIInChI=1S/C21H21N3O2/c1-21(2,3)16-8-6-15(7-9-16)20(25)24-17-10-11-19(23-13-17)26-18-5-4-12-22-14-18/h4-14H,1-3H3,(H,24,25)
InChIKeyMVTVYHFGARENKA-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.82
Rot. Bonds4

About 4-tert-butyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzamide

4-tert-butyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzamide (PubChem CID 2800172) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-tert-butyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzamide
PubChem CID2800172
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-tert-butyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3cccnc3)nc2)cc1
InChIInChI=1S/C21H21N3O2/c1-21(2,3)16-8-6-15(7-9-16)20(25)24-17-10-11-19(23-13-17)26-18-5-4-12-22-14-18/h4-14H,1-3H3,(H,24,25)
InChIKeyMVTVYHFGARENKA-UHFFFAOYSA-N
XLogP4.82
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-methylpyrazin-2-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 42609962
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CID 44434951
N-(3-(ethylcarbamoyl) benzyl)-6H-isochromeno [3,4-c] pyridine-8-carboxamide
CID 129159093
2-((2-ethylphenyl)methoxy)-N-(pyridin-3-yl)benzamide
CID 118911741
(4-(3-(4-(Furan-3-yl)phenyl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl)phenyl)methanamine
CID 138376585
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-pyridin-2-ylbenzamide
CID 44427818
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-phenylbenzamide
CID 46195690
N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90407961
N-[5-(6-methoxy-5-morpholin-4-ylpyridin-3-yl)-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90408582
N-(6-pyridin-3-yloxypyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 2800173
N-{6-[4-(tert-butyl)phenoxy]-3-pyridinyl}-2-furamide
CID 2814271
GR-125743
CID 5311130

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzamide (CID 2800172) is 4-tert-butyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3cccnc3)nc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzamide?
The InChIKey is MVTVYHFGARENKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-21(2,3)16-8-6-15(7-9-16)20(25)24-17-10-11-19(23-13-17)26-18-5-4-12-22-14-18/h4-14H,1-3H3,(H,24,25).
What are the key properties of 4-tert-butyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzamide?
4-tert-butyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzamide has a molecular weight of 347.42 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzamide is sourced from PubChem (CID 2800172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).