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

C16H14N4O2 — CID 110322061

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]pyridine-4-carboxamide
SMILESCc1nnc(C(NC(=O)c2ccncc2)c2ccccc2)o1
InChIInChI=1S/C16H14N4O2/c1-11-19-20-16(22-11)14(12-5-3-2-4-6-12)18-15(21)13-7-9-17-10-8-13/h2-10,14H,1H3,(H,18,21)
InChIKeyUSNGPRCLDLRPCO-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.29
Rot. Bonds4

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

N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]pyridine-4-carboxamide (PubChem CID 110322061) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]pyridine-4-carboxamide
PubChem CID110322061
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]pyridine-4-carboxamide
SMILESCc1nnc(C(NC(=O)c2ccncc2)c2ccccc2)o1
InChIInChI=1S/C16H14N4O2/c1-11-19-20-16(22-11)14(12-5-3-2-4-6-12)18-15(21)13-7-9-17-10-8-13/h2-10,14H,1H3,(H,18,21)
InChIKeyUSNGPRCLDLRPCO-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzamide
CID 110322033
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide
CID 26177693
N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide
CID 42925184
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methylbenzamide
CID 26791742
N-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methylbenzamide
CID 28886205
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 92880072
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159600
N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 95099783
4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 46377580
4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159586

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]pyridine-4-carboxamide?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]pyridine-4-carboxamide (CID 110322061) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]pyridine-4-carboxamide is Cc1nnc(C(NC(=O)c2ccncc2)c2ccccc2)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]pyridine-4-carboxamide?
The InChIKey is USNGPRCLDLRPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11-19-20-16(22-11)14(12-5-3-2-4-6-12)18-15(21)13-7-9-17-10-8-13/h2-10,14H,1H3,(H,18,21).
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]pyridine-4-carboxamide?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]pyridine-4-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110322061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).