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

C17H16N4O2 — CID 99776989

IUPAC5-(3-methylphenyl)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCc1cccc(-c2cncc(C(=O)N[C@@H](C)c3ncon3)c2)c1
InChIInChI=1S/C17H16N4O2/c1-11-4-3-5-13(6-11)14-7-15(9-18-8-14)17(22)20-12(2)16-19-10-23-21-16/h3-10,12H,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyIXFIRGKJDZMWKF-LBPRGKRZSA-N
MW308.34 g/mol
LogP2.93
Rot. Bonds4

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

5-(3-methylphenyl)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 99776989) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-methylphenyl)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID99776989
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name5-(3-methylphenyl)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCc1cccc(-c2cncc(C(=O)N[C@@H](C)c3ncon3)c2)c1
InChIInChI=1S/C17H16N4O2/c1-11-4-3-5-13(6-11)14-7-15(9-18-8-14)17(22)20-12(2)16-19-10-23-21-16/h3-10,12H,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyIXFIRGKJDZMWKF-LBPRGKRZSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3-methylphenyl)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide (CID 99776989) is 5-(3-methylphenyl)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-methylphenyl)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-methylphenyl)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide is Cc1cccc(-c2cncc(C(=O)N[C@@H](C)c3ncon3)c2)c1.
What is the InChIKey of 5-(3-methylphenyl)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is IXFIRGKJDZMWKF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-4-3-5-13(6-11)14-7-15(9-18-8-14)17(22)20-12(2)16-19-10-23-21-16/h3-10,12H,1-2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of 5-(3-methylphenyl)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide?
5-(3-methylphenyl)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 99776989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).