N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide

C12H14N4O2 — CID 56752041

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cnon2)nc1
InChIInChI=1S/C12H14N4O2/c1-3-9-4-5-10(13-6-9)8-16(2)12(17)11-7-14-18-15-11/h4-7H,3,8H2,1-2H3
InChIKeyYQGLEIWPYUHPBS-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.30
Rot. Bonds4

About N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide

N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 56752041) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID56752041
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cnon2)nc1
InChIInChI=1S/C12H14N4O2/c1-3-9-4-5-10(13-6-9)8-16(2)12(17)11-7-14-18-15-11/h4-7H,3,8H2,1-2H3
InChIKeyYQGLEIWPYUHPBS-UHFFFAOYSA-N
XLogP1.30
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide
CID 56878008
3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide
CID 90652400
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 77081692
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
CID 91766594
(2R)-2-amino-N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethylpentanamide
CID 56873625
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide
CID 56754468
(2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide
CID 99929265
2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid
CID 56710868
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide
CID 91766152
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 56909120
N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 56750480
3-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylpropanamide
CID 118770912

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide (CID 56752041) is N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide is CCc1ccc(CN(C)C(=O)c2cnon2)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is YQGLEIWPYUHPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-9-4-5-10(13-6-9)8-16(2)12(17)11-7-14-18-15-11/h4-7H,3,8H2,1-2H3.
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 56752041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).