6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide

C16H16N6O2 — CID 78861696

IUPAC6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCc2nc(-c3ccncc3)no2)cn1
InChIInChI=1S/C16H16N6O2/c1-22(2)13-4-3-12(9-18-13)16(23)19-10-14-20-15(21-24-14)11-5-7-17-8-6-11/h3-9H,10H2,1-2H3,(H,19,23)
InChIKeyRUNPUUYQVFHYEL-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.52
Rot. Bonds5

About 6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide

6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 78861696) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
PubChem CID78861696
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCc2nc(-c3ccncc3)no2)cn1
InChIInChI=1S/C16H16N6O2/c1-22(2)13-4-3-12(9-18-13)16(23)19-10-14-20-15(21-24-14)11-5-7-17-8-6-11/h3-9H,10H2,1-2H3,(H,19,23)
InChIKeyRUNPUUYQVFHYEL-UHFFFAOYSA-N
XLogP1.52
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 78839044
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 119104925
3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 134042967
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463
3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 134043007
6-(dimethylamino)-N-(1H-pyrazol-5-ylmethyl)pyridine-3-carboxamide
CID 47351026
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 122558222
cis-(1S,3R)-2,2-dimethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95859031
3,5-dimethyl-4-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 134043017
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 91819231
N-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 75530724

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide (CID 78861696) is 6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide is CN(C)c1ccc(C(=O)NCc2nc(-c3ccncc3)no2)cn1.
What is the InChIKey of 6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is RUNPUUYQVFHYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-22(2)13-4-3-12(9-18-13)16(23)19-10-14-20-15(21-24-14)11-5-7-17-8-6-11/h3-9H,10H2,1-2H3,(H,19,23).
What are the key properties of 6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 78861696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).