N-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]pyridine-3-carboxamide

C13H13N9O2 — CID 4672585

IUPACN-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1cccnc1)c1nnn(-c2nonc2N)c1C
InChIInChI=1S/C13H13N9O2/c1-7(16-18-13(23)9-4-3-5-15-6-9)10-8(2)22(21-17-10)12-11(14)19-24-20-12/h3-6H,1-2H3,(H2,14,19)(H,18,23)
InChIKeySIEVSHLBDITTKF-UHFFFAOYSA-N
MW327.31 g/mol
LogP0.09
Rot. Bonds4

About N-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]pyridine-3-carboxamide

N-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]pyridine-3-carboxamide (PubChem CID 4672585) has the molecular formula C13H13N9O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]pyridine-3-carboxamide
PubChem CID4672585
Molecular FormulaC13H13N9O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1cccnc1)c1nnn(-c2nonc2N)c1C
InChIInChI=1S/C13H13N9O2/c1-7(16-18-13(23)9-4-3-5-15-6-9)10-8(2)22(21-17-10)12-11(14)19-24-20-12/h3-6H,1-2H3,(H2,14,19)(H,18,23)
InChIKeySIEVSHLBDITTKF-UHFFFAOYSA-N
XLogP0.09
TPSA150.00 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide
CID 3761205
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide
CID 3726769
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-(pyridin-3-ylmethylideneamino)triazole-4-carboxamide
CID 691878
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide
CID 3751521
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 45053919
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-methyltriazole-4-carboxamide
CID 135684040
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-N-(1-phenylethylideneamino)triazole-4-carboxamide
CID 3400111
3-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-(1-pyridin-4-ylethylideneamino)triazole-4-carboxamide
CID 3772279
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(1-pyridin-4-ylethylideneamino)-5-thiophen-2-yltriazole-4-carboxamide
CID 3878331
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-(4-methylpentan-2-ylideneamino)triazole-4-carboxamide
CID 3663367
1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone
CID 538912
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide
CID 135849242

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]pyridine-3-carboxamide (CID 4672585) is N-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]pyridine-3-carboxamide is CC(=NNC(=O)c1cccnc1)c1nnn(-c2nonc2N)c1C.
What is the InChIKey of N-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]pyridine-3-carboxamide?
The InChIKey is SIEVSHLBDITTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N9O2/c1-7(16-18-13(23)9-4-3-5-15-6-9)10-8(2)22(21-17-10)12-11(14)19-24-20-12/h3-6H,1-2H3,(H2,14,19)(H,18,23).
What are the key properties of N-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]pyridine-3-carboxamide?
N-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]pyridine-3-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 4672585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).