N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide

C16H22N4O3 — CID 72857248

IUPACN-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCc1cccc(=O)n1CCC(=O)N(C)Cc1noc(C(C)C)n1
InChIInChI=1S/C16H22N4O3/c1-11(2)16-17-13(18-23-16)10-19(4)14(21)8-9-20-12(3)6-5-7-15(20)22/h5-7,11H,8-10H2,1-4H3
InChIKeyIKPUZGRLQGSLMH-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.71
Rot. Bonds6

About N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide

N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide (PubChem CID 72857248) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
PubChem CID72857248
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCc1cccc(=O)n1CCC(=O)N(C)Cc1noc(C(C)C)n1
InChIInChI=1S/C16H22N4O3/c1-11(2)16-17-13(18-23-16)10-19(4)14(21)8-9-20-12(3)6-5-7-15(20)22/h5-7,11H,8-10H2,1-4H3
InChIKeyIKPUZGRLQGSLMH-UHFFFAOYSA-N
XLogP1.71
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 53538713
1-[2-[4-[1-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyridin-2-one
CID 53554644
1-[2-[4-[1-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyridin-2-one
CID 53558673
3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 56800026
1-[2-Oxo-2-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyridin-2-one
CID 72146994
1-[3-Oxo-3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propyl]pyridin-2-one
CID 72147099
1-[3-[3-(5-Ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 72147153
1-[3-[3-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 72147249
1-Methyl-4-[[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]pyridin-2-one
CID 72149419
1-[2-[4-[1-(3-Propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyridin-2-one
CID 75369863
1-[(5-Tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 39042025
N-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 50984248

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The IUPAC name of N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide (CID 72857248) is N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide.
What is the SMILES notation for N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The canonical SMILES for N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide is Cc1cccc(=O)n1CCC(=O)N(C)Cc1noc(C(C)C)n1.
What is the InChIKey of N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The InChIKey is IKPUZGRLQGSLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11(2)16-17-13(18-23-16)10-19(4)14(21)8-9-20-12(3)6-5-7-15(20)22/h5-7,11H,8-10H2,1-4H3.
What are the key properties of N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide has a molecular weight of 318.38 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide is sourced from PubChem (CID 72857248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).