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

C14H13N7O2 — CID 51091850

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NCc1nc(C2CC2)no1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C14H13N7O2/c22-14(17-6-12-19-13(20-23-12)9-1-2-9)10-3-4-16-11(5-10)21-8-15-7-18-21/h3-5,7-9H,1-2,6H2,(H,17,22)
InChIKeyIHBPVYQWSZJNGU-UHFFFAOYSA-N
MW311.31 g/mol
LogP0.85
Rot. Bonds5

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

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 51091850) has the molecular formula C14H13N7O2 and a molecular weight of 311.31 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID51091850
Molecular FormulaC14H13N7O2
Molecular Weight311.31 g/mol
Exact Mass311.11
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NCc1nc(C2CC2)no1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C14H13N7O2/c22-14(17-6-12-19-13(20-23-12)9-1-2-9)10-3-4-16-11(5-10)21-8-15-7-18-21/h3-5,7-9H,1-2,6H2,(H,17,22)
InChIKeyIHBPVYQWSZJNGU-UHFFFAOYSA-N
XLogP0.85
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 111464008
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94815804
N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94815803
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51087861
N-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 75479843
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091744
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525782
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525736
N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091886
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60526072
N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51092191

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 51091850) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is O=C(NCc1nc(C2CC2)no1)c1ccnc(-n2cncn2)c1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is IHBPVYQWSZJNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O2/c22-14(17-6-12-19-13(20-23-12)9-1-2-9)10-3-4-16-11(5-10)21-8-15-7-18-21/h3-5,7-9H,1-2,6H2,(H,17,22).
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 311.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 51091850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).