N-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C18H19N5O3 — CID 55707848

IUPACN-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCOc1cc(CNC(=O)CCc2nc(-c3ccncc3)no2)ccn1
InChIInChI=1S/C18H19N5O3/c1-2-25-17-11-13(5-10-20-17)12-21-15(24)3-4-16-22-18(23-26-16)14-6-8-19-9-7-14/h5-11H,2-4,12H2,1H3,(H,21,24)
InChIKeyHXPWMAMOAIMAMK-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.17
Rot. Bonds8

About N-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55707848) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55707848
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCOc1cc(CNC(=O)CCc2nc(-c3ccncc3)no2)ccn1
InChIInChI=1S/C18H19N5O3/c1-2-25-17-11-13(5-10-20-17)12-21-15(24)3-4-16-22-18(23-26-16)14-6-8-19-9-7-14/h5-11H,2-4,12H2,1H3,(H,21,24)
InChIKeyHXPWMAMOAIMAMK-UHFFFAOYSA-N
XLogP2.17
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17440928
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide
CID 46588266
3-[[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide
CID 32637808
N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39157817
ethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate
CID 134024394
N-[2-(tert-butylamino)-2-oxoethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30238639
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 55840052
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55491755
3-(3-methoxyphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 134051001
N-[(3,4-dimethoxyphenyl)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17442023
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135469
3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 134043007

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55707848) is N-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is CCOc1cc(CNC(=O)CCc2nc(-c3ccncc3)no2)ccn1.
What is the InChIKey of N-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is HXPWMAMOAIMAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-2-25-17-11-13(5-10-20-17)12-21-15(24)3-4-16-22-18(23-26-16)14-6-8-19-9-7-14/h5-11H,2-4,12H2,1H3,(H,21,24).
What are the key properties of N-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 353.38 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55707848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).