N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide

C17H16N4O2 — CID 110321211

IUPACN-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide
SMILESCc1ccccc1-c1nnc(CCNC(=O)c2ccncc2)o1
InChIInChI=1S/C17H16N4O2/c1-12-4-2-3-5-14(12)17-21-20-15(23-17)8-11-19-16(22)13-6-9-18-10-7-13/h2-7,9-10H,8,11H2,1H3,(H,19,22)
InChIKeyCLZHUMVSSNPSMD-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.41
Rot. Bonds5

About N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide

N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide (PubChem CID 110321211) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide
PubChem CID110321211
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide
SMILESCc1ccccc1-c1nnc(CCNC(=O)c2ccncc2)o1
InChIInChI=1S/C17H16N4O2/c1-12-4-2-3-5-14(12)17-21-20-15(23-17)8-11-19-16(22)13-6-9-18-10-7-13/h2-7,9-10H,8,11H2,1H3,(H,19,22)
InChIKeyCLZHUMVSSNPSMD-UHFFFAOYSA-N
XLogP2.41
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110319287
2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320797
2-(4-fluorophenyl)-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
CID 110321192
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide
CID 110320940
4-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319256
3-phenyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320848
N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 55044443
N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26022369
3-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319283
3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 110334156
3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321720
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 110320949

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide (CID 110321211) is N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide is Cc1ccccc1-c1nnc(CCNC(=O)c2ccncc2)o1.
What is the InChIKey of N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is CLZHUMVSSNPSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-4-2-3-5-14(12)17-21-20-15(23-17)8-11-19-16(22)13-6-9-18-10-7-13/h2-7,9-10H,8,11H2,1H3,(H,19,22).
What are the key properties of N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide?
N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110321211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).