3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide

C17H21N5O2 — CID 22515089

IUPAC3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCc2nc(C3=CCN(C)CC3)no2)n1
InChIInChI=1S/C17H21N5O2/c1-12-4-3-5-14(18-12)19-15(23)6-7-16-20-17(21-24-16)13-8-10-22(2)11-9-13/h3-5,8H,6-7,9-11H2,1-2H3,(H,18,19,23)
InChIKeyLDCHLPZVBQKAJC-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.06
Rot. Bonds5

About 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide

3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 22515089) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID22515089
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCc2nc(C3=CCN(C)CC3)no2)n1
InChIInChI=1S/C17H21N5O2/c1-12-4-3-5-14(18-12)19-15(23)6-7-16-20-17(21-24-16)13-8-10-22(2)11-9-13/h3-5,8H,6-7,9-11H2,1-2H3,(H,18,19,23)
InChIKeyLDCHLPZVBQKAJC-UHFFFAOYSA-N
XLogP2.06
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
CID 46358209
N-[(3-methoxyphenyl)methyl]-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 22515116
N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17101587
ethyl 4-[3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]piperidine-1-carboxylate
CID 3243211
N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46358147
3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 50748256
3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 46358218
3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
CID 46358211
3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
CID 22581192
N-[(2S)-butan-2-yl]-3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]propanamide
CID 92713675
N-[(4-chlorophenyl)methyl]-3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]propanamide
CID 22581193
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide (CID 22515089) is 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide is Cc1cccc(NC(=O)CCc2nc(C3=CCN(C)CC3)no2)n1.
What is the InChIKey of 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is LDCHLPZVBQKAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-4-3-5-14(18-12)19-15(23)6-7-16-20-17(21-24-16)13-8-10-22(2)11-9-13/h3-5,8H,6-7,9-11H2,1-2H3,(H,18,19,23).
What are the key properties of 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide?
3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 327.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 22515089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).