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

C17H23N5O2 — CID 71705371

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCN1CCCC1CNC(=O)CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C17H23N5O2/c1-2-22-11-3-4-14(22)12-19-15(23)5-6-16-20-17(21-24-16)13-7-9-18-10-8-13/h7-10,14H,2-6,11-12H2,1H3,(H,19,23)
InChIKeyVKKZALNZTVFWDJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.66
Rot. Bonds7

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 71705371) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID71705371
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCN1CCCC1CNC(=O)CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C17H23N5O2/c1-2-22-11-3-4-14(22)12-19-15(23)5-6-16-20-17(21-24-16)13-7-9-18-10-8-13/h7-10,14H,2-6,11-12H2,1H3,(H,19,23)
InChIKeyVKKZALNZTVFWDJ-UHFFFAOYSA-N
XLogP1.66
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 75465493
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N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 71705371) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is CCN1CCCC1CNC(=O)CCc1nc(-c2ccncc2)no1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is VKKZALNZTVFWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-22-11-3-4-14(22)12-19-15(23)5-6-16-20-17(21-24-16)13-7-9-18-10-8-13/h7-10,14H,2-6,11-12H2,1H3,(H,19,23).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 71705371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).