N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide

C17H16N4O3 — CID 97250481

IUPACN-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccncc1O)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C17H16N4O3/c1-11(19-17(23)13-7-8-18-10-14(13)22)16-20-15(24-21-16)9-12-5-3-2-4-6-12/h2-8,10-11,22H,9H2,1H3,(H,19,23)/t11-/m0/s1
InChIKeyJRPMIEZJJFZLFY-NSHDSACASA-N
MW324.34 g/mol
LogP2.25
Rot. Bonds5

About N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide

N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide (PubChem CID 97250481) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide
PubChem CID97250481
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccncc1O)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C17H16N4O3/c1-11(19-17(23)13-7-8-18-10-14(13)22)16-20-15(24-21-16)9-12-5-3-2-4-6-12/h2-8,10-11,22H,9H2,1H3,(H,19,23)/t11-/m0/s1
InChIKeyJRPMIEZJJFZLFY-NSHDSACASA-N
XLogP2.25
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide (CID 97250481) is N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide is C[C@H](NC(=O)c1ccncc1O)c1noc(Cc2ccccc2)n1.
What is the InChIKey of N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide?
The InChIKey is JRPMIEZJJFZLFY-NSHDSACASA-N. The full InChI is InChI=1S/C17H16N4O3/c1-11(19-17(23)13-7-8-18-10-14(13)22)16-20-15(24-21-16)9-12-5-3-2-4-6-12/h2-8,10-11,22H,9H2,1H3,(H,19,23)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide?
N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 97250481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).