N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide

C13H16N4O3 — CID 146144337

IUPACN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)c1nnc(C)o1
InChIInChI=1S/C13H16N4O3/c1-7-5-8(2)15-12(19-4)10(7)6-14-11(18)13-17-16-9(3)20-13/h5H,6H2,1-4H3,(H,14,18)
InChIKeyVKYCMWYXPNODOF-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.33
Rot. Bonds4

About N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide

N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 146144337) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID146144337
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)c1nnc(C)o1
InChIInChI=1S/C13H16N4O3/c1-7-5-8(2)15-12(19-4)10(7)6-14-11(18)13-17-16-9(3)20-13/h5H,6H2,1-4H3,(H,14,18)
InChIKeyVKYCMWYXPNODOF-UHFFFAOYSA-N
XLogP1.33
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide
CID 91776501
(2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide
CID 136580567
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 50950633
N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide
CID 46991930
3-(1-hydroxy-2-methylpropyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 162629903
trans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 138008683
5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110392803
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50971649
2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 91763538
2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 91772485
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 97120000
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine
CID 163311507

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide (CID 146144337) is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide is COc1nc(C)cc(C)c1CNC(=O)c1nnc(C)o1.
What is the InChIKey of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is VKYCMWYXPNODOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-7-5-8(2)15-12(19-4)10(7)6-14-11(18)13-17-16-9(3)20-13/h5H,6H2,1-4H3,(H,14,18).
What are the key properties of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 146144337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).