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

C13H12N6O2 — CID 119104925

IUPACN-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
SMILESCn1cc(-c2noc(CNC(=O)c3ccncc3)n2)cn1
InChIInChI=1S/C13H12N6O2/c1-19-8-10(6-16-19)12-17-11(21-18-12)7-15-13(20)9-2-4-14-5-3-9/h2-6,8H,7H2,1H3,(H,15,20)
InChIKeyLTDHZLRLNCAXFK-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.80
Rot. Bonds4

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

N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide (PubChem CID 119104925) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
PubChem CID119104925
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC NameN-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
SMILESCn1cc(-c2noc(CNC(=O)c3ccncc3)n2)cn1
InChIInChI=1S/C13H12N6O2/c1-19-8-10(6-16-19)12-17-11(21-18-12)7-15-13(20)9-2-4-14-5-3-9/h2-6,8H,7H2,1H3,(H,15,20)
InChIKeyLTDHZLRLNCAXFK-UHFFFAOYSA-N
XLogP0.80
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 119104940
3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 121022135
2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 121195077
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 78839044
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 91819231
5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 121195101
6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 78861696
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964
N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121022168
2,3-dimethyl-2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 65195176
N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65196540

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide (CID 119104925) is N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide is Cn1cc(-c2noc(CNC(=O)c3ccncc3)n2)cn1.
What is the InChIKey of N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide?
The InChIKey is LTDHZLRLNCAXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-19-8-10(6-16-19)12-17-11(21-18-12)7-15-13(20)9-2-4-14-5-3-9/h2-6,8H,7H2,1H3,(H,15,20).
What are the key properties of N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide?
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 119104925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).