4-methyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1,2,5-oxadiazole-3-carboxamide

C17H16N4O2 — CID 95200610

IUPAC4-methyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1ccc([C@H](NC(=O)c2nonc2C)c2ccncc2)cc1
InChIInChI=1S/C17H16N4O2/c1-11-3-5-13(6-4-11)16(14-7-9-18-10-8-14)19-17(22)15-12(2)20-23-21-15/h3-10,16H,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyPXXSVONJMMRJTI-INIZCTEOSA-N
MW308.34 g/mol
LogP2.60
Rot. Bonds4

About 4-methyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 95200610) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-methyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID95200610
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-methyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1ccc([C@H](NC(=O)c2nonc2C)c2ccncc2)cc1
InChIInChI=1S/C17H16N4O2/c1-11-3-5-13(6-4-11)16(14-7-9-18-10-8-14)19-17(22)15-12(2)20-23-21-15/h3-10,16H,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyPXXSVONJMMRJTI-INIZCTEOSA-N
XLogP2.60
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide
CID 72879802
N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide
CID 95549573
N-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 77082497
5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56712996
N-[(4-methylphenyl)-pyridin-4-ylmethyl]azepane-1-carboxamide
CID 121498350
N-(2-hydroxy-1-phenylethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110001205
4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide
CID 62687239
N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124751214
(4-methylphenyl)-pyridin-4-ylmethanol
CID 3383504
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 131896793
2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 99991788
N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1,2,5-oxadiazole-3-carboxamide (CID 95200610) is 4-methyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1,2,5-oxadiazole-3-carboxamide is Cc1ccc([C@H](NC(=O)c2nonc2C)c2ccncc2)cc1.
What is the InChIKey of 4-methyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is PXXSVONJMMRJTI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-3-5-13(6-4-11)16(14-7-9-18-10-8-14)19-17(22)15-12(2)20-23-21-15/h3-10,16H,1-2H3,(H,19,22)/t16-/m0/s1.
What are the key properties of 4-methyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 95200610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).