N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide

C13H17N5O2 — CID 106408591

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCCc2ncno2)cn1
InChIInChI=1S/C13H17N5O2/c1-2-6-14-11-4-3-10(8-16-11)13(19)15-7-5-12-17-9-18-20-12/h3-4,8-9H,2,5-7H2,1H3,(H,14,16)(H,15,19)
InChIKeyFHEGEYNKMKMOGL-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.26
Rot. Bonds7

About N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide (PubChem CID 106408591) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide
PubChem CID106408591
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCCc2ncno2)cn1
InChIInChI=1S/C13H17N5O2/c1-2-6-14-11-4-3-10(8-16-11)13(19)15-7-5-12-17-9-18-20-12/h3-4,8-9H,2,5-7H2,1H3,(H,14,16)(H,15,19)
InChIKeyFHEGEYNKMKMOGL-UHFFFAOYSA-N
XLogP1.26
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxamide
CID 103744306
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103744003
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide
CID 106408660
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide
CID 106408836
N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62187218
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62176173
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
N-(cyclobutylmethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62168464
4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391499
N-(2-methylbutyl)-6-(propylamino)pyridine-3-carboxamide
CID 62693585
N-[2-(tert-butylamino)-2-oxoethyl]-6-(propylamino)pyridine-3-carboxamide
CID 115357188
N',N'-dimethyl-6-(propylamino)pyridine-3-carbohydrazide
CID 83024179

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide (CID 106408591) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide is CCCNc1ccc(C(=O)NCCc2ncno2)cn1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is FHEGEYNKMKMOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-6-14-11-4-3-10(8-16-11)13(19)15-7-5-12-17-9-18-20-12/h3-4,8-9H,2,5-7H2,1H3,(H,14,16)(H,15,19).
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 106408591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).