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

C16H14N4O2 — CID 110319287

IUPACN-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide
SMILESCc1ccccc1-c1nnc(CNC(=O)c2ccncc2)o1
InChIInChI=1S/C16H14N4O2/c1-11-4-2-3-5-13(11)16-20-19-14(22-16)10-18-15(21)12-6-8-17-9-7-12/h2-9H,10H2,1H3,(H,18,21)
InChIKeyHYJRKBLMKRASJW-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.37
Rot. Bonds4

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

N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 110319287) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide
PubChem CID110319287
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide
SMILESCc1ccccc1-c1nnc(CNC(=O)c2ccncc2)o1
InChIInChI=1S/C16H14N4O2/c1-11-4-2-3-5-13(11)16-20-19-14(22-16)10-18-15(21)12-6-8-17-9-7-12/h2-9H,10H2,1H3,(H,18,21)
InChIKeyHYJRKBLMKRASJW-UHFFFAOYSA-N
XLogP2.37
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide
CID 110321211
4-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319256
3-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319283
3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319255
1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea
CID 110319278
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319667
N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110318958
1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 99633329
3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 110334156
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55753809
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558457
N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide
CID 84509149

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide (CID 110319287) is N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide is Cc1ccccc1-c1nnc(CNC(=O)c2ccncc2)o1.
What is the InChIKey of N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is HYJRKBLMKRASJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11-4-2-3-5-13(11)16-20-19-14(22-16)10-18-15(21)12-6-8-17-9-7-12/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide?
N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 110319287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).