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

C13H17N5O2 — CID 106408880

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCc2ncon2)ccn1
InChIInChI=1S/C13H17N5O2/c1-2-5-14-12-8-10(3-6-15-12)13(19)16-7-4-11-17-9-20-18-11/h3,6,8-9H,2,4-5,7H2,1H3,(H,14,15)(H,16,19)
InChIKeyLDXFCAYZNPXCRN-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.26
Rot. Bonds7

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

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide (PubChem CID 106408880) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
PubChem CID106408880
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCc2ncon2)ccn1
InChIInChI=1S/C13H17N5O2/c1-2-5-14-12-8-10(3-6-15-12)13(19)16-7-4-11-17-9-20-18-11/h3,6,8-9H,2,4-5,7H2,1H3,(H,14,15)(H,16,19)
InChIKeyLDXFCAYZNPXCRN-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

3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
CID 106409151
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 62179912
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407971
2-(methylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 114185141
N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide
CID 55046885
N-[2-(diethylamino)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62173284
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 109165089
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea
CID 106395850

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide (CID 106408880) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NCCc2ncon2)ccn1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is LDXFCAYZNPXCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-5-14-12-8-10(3-6-15-12)13(19)16-7-4-11-17-9-20-18-11/h3,6,8-9H,2,4-5,7H2,1H3,(H,14,15)(H,16,19).
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-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-3-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 106408880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).