2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide

C14H18N8O — CID 2730075

IUPAC2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide
SMILESO=C(Cn1nnc(N2CCCCC2)n1)NN=Cc1cccnc1
InChIInChI=1S/C14H18N8O/c23-13(17-16-10-12-5-4-6-15-9-12)11-22-19-14(18-20-22)21-7-2-1-3-8-21/h4-6,9-10H,1-3,7-8,11H2,(H,17,23)
InChIKeyWOCCKSQDGWVSNL-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.21
Rot. Bonds5

About 2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide

2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide (PubChem CID 2730075) has the molecular formula C14H18N8O and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide
PubChem CID2730075
Molecular FormulaC14H18N8O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide
SMILESO=C(Cn1nnc(N2CCCCC2)n1)NN=Cc1cccnc1
InChIInChI=1S/C14H18N8O/c23-13(17-16-10-12-5-4-6-15-9-12)11-22-19-14(18-20-22)21-7-2-1-3-8-21/h4-6,9-10H,1-3,7-8,11H2,(H,17,23)
InChIKeyWOCCKSQDGWVSNL-UHFFFAOYSA-N
XLogP0.21
TPSA101.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2730068
N-[(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide
CID 2730086
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 126202012
2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6884557
N-[(Z)-pyridin-3-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 5424330
4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine
CID 3092737
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 25237213
N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 696915
N-[(Z)-(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 6219660
N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
CID 6018184

Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide?
The IUPAC name of 2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide (CID 2730075) is 2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide is O=C(Cn1nnc(N2CCCCC2)n1)NN=Cc1cccnc1.
What is the InChIKey of 2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide?
The InChIKey is WOCCKSQDGWVSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8O/c23-13(17-16-10-12-5-4-6-15-9-12)11-22-19-14(18-20-22)21-7-2-1-3-8-21/h4-6,9-10H,1-3,7-8,11H2,(H,17,23).
What are the key properties of 2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide?
2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide has a molecular weight of 314.35 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide is sourced from PubChem (CID 2730075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).