2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid

C15H18N4O3 — CID 50956884

IUPAC2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
SMILESCN(Cc1noc(C2CCC2)n1)Cc1ncccc1C(=O)O
InChIInChI=1S/C15H18N4O3/c1-19(8-12-11(15(20)21)6-3-7-16-12)9-13-17-14(22-18-13)10-4-2-5-10/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,20,21)
InChIKeyNWVDEKXKSONSBJ-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.06
Rot. Bonds6

About 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid

2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid (PubChem CID 50956884) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
PubChem CID50956884
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
SMILESCN(Cc1noc(C2CCC2)n1)Cc1ncccc1C(=O)O
InChIInChI=1S/C15H18N4O3/c1-19(8-12-11(15(20)21)6-3-7-16-12)9-13-17-14(22-18-13)10-4-2-5-10/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,20,21)
InChIKeyNWVDEKXKSONSBJ-UHFFFAOYSA-N
XLogP2.06
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95143538
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 75438087
2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
CID 82187670
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-phenylimidazol-1-yl)acetamide
CID 72844296
2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95130318
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butanoic acid
CID 55006231
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid
CID 61497419
methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate
CID 167922337
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 146135062
2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid
CID 114198494
2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 91843306
4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 56719224

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid (CID 50956884) is 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid is CN(Cc1noc(C2CCC2)n1)Cc1ncccc1C(=O)O.
What is the InChIKey of 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid?
The InChIKey is NWVDEKXKSONSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-19(8-12-11(15(20)21)6-3-7-16-12)9-13-17-14(22-18-13)10-4-2-5-10/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,20,21).
What are the key properties of 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid?
2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 50956884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).