4,6-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide

C14H18N4O3 — CID 110204993

IUPAC4,6-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1noc(CCCNC(=O)c2c(C)cc(C)[nH]c2=O)n1
InChIInChI=1S/C14H18N4O3/c1-8-7-9(2)16-14(20)12(8)13(19)15-6-4-5-11-17-10(3)18-21-11/h7H,4-6H2,1-3H3,(H,15,19)(H,16,20)
InChIKeyMZDWFBQOVYCBHC-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.05
Rot. Bonds5

About 4,6-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide

4,6-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 110204993) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4,6-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID110204993
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4,6-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1noc(CCCNC(=O)c2c(C)cc(C)[nH]c2=O)n1
InChIInChI=1S/C14H18N4O3/c1-8-7-9(2)16-14(20)12(8)13(19)15-6-4-5-11-17-10(3)18-21-11/h7H,4-6H2,1-3H3,(H,15,19)(H,16,20)
InChIKeyMZDWFBQOVYCBHC-UHFFFAOYSA-N
XLogP1.05
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70753464
4,6-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 91797993
4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide
CID 70761609
5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685485
N-[2-(2-fluorophenyl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70767353
4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 71972554
3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103892309
5-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 113234051
3,5-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413318
4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 78957550
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 114185674
N-(2-methoxyethoxy)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 79676518

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide (CID 110204993) is 4,6-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1noc(CCCNC(=O)c2c(C)cc(C)[nH]c2=O)n1.
What is the InChIKey of 4,6-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MZDWFBQOVYCBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-8-7-9(2)16-14(20)12(8)13(19)15-6-4-5-11-17-10(3)18-21-11/h7H,4-6H2,1-3H3,(H,15,19)(H,16,20).
What are the key properties of 4,6-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide?
4,6-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110204993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).