5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]pyridine-3-carboxamide

C27H26N4O3 — CID 71289077

IUPAC5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]pyridine-3-carboxamide
SMILESCc1nc(-c2cncc(C(=O)NCC3(c4cccc(-c5ccccc5)c4)CCOCC3)c2)no1
InChIInChI=1S/C27H26N4O3/c1-19-30-25(31-34-19)22-14-23(17-28-16-22)26(32)29-18-27(10-12-33-13-11-27)24-9-5-8-21(15-24)20-6-3-2-4-7-20/h2-9,14-17H,10-13,18H2,1H3,(H,29,32)
InChIKeyQXIMDNNLMREBIY-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.59
Rot. Bonds6

About 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]pyridine-3-carboxamide

5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 71289077) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]pyridine-3-carboxamide
PubChem CID71289077
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]pyridine-3-carboxamide
SMILESCc1nc(-c2cncc(C(=O)NCC3(c4cccc(-c5ccccc5)c4)CCOCC3)c2)no1
InChIInChI=1S/C27H26N4O3/c1-19-30-25(31-34-19)22-14-23(17-28-16-22)26(32)29-18-27(10-12-33-13-11-27)24-9-5-8-21(15-24)20-6-3-2-4-7-20/h2-9,14-17H,10-13,18H2,1H3,(H,29,32)
InChIKeyQXIMDNNLMREBIY-UHFFFAOYSA-N
XLogP4.59
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
CID 71288985
N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 100517750
3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide
CID 71487667
3-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100514729
4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943798
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51120737
4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100542760
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
CID 112503014
N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide
CID 71289119
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 51091950
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 176502841
N-[[4-(5-phenyl-3-propan-2-yl-4H-thiopyran-2-yl)oxan-4-yl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 123211479

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]pyridine-3-carboxamide (CID 71289077) is 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]pyridine-3-carboxamide is Cc1nc(-c2cncc(C(=O)NCC3(c4cccc(-c5ccccc5)c4)CCOCC3)c2)no1.
What is the InChIKey of 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is QXIMDNNLMREBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-19-30-25(31-34-19)22-14-23(17-28-16-22)26(32)29-18-27(10-12-33-13-11-27)24-9-5-8-21(15-24)20-6-3-2-4-7-20/h2-9,14-17H,10-13,18H2,1H3,(H,29,32).
What are the key properties of 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]pyridine-3-carboxamide?
5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(3-phenylphenyl)oxan-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 71289077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).