N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide

C11H13N3O — CID 54518207

IUPACN-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide
SMILESO=C(NN=Cc1ccncc1)C1CCC1
InChIInChI=1S/C11H13N3O/c15-11(10-2-1-3-10)14-13-8-9-4-6-12-7-5-9/h4-8,10H,1-3H2,(H,14,15)
InChIKeyYNWYKIBZGGOUDW-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.33
Rot. Bonds3

About N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide

N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide (PubChem CID 54518207) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide
PubChem CID54518207
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide
SMILESO=C(NN=Cc1ccncc1)C1CCC1
InChIInChI=1S/C11H13N3O/c15-11(10-2-1-3-10)14-13-8-9-4-6-12-7-5-9/h4-8,10H,1-3H2,(H,14,15)
InChIKeyYNWYKIBZGGOUDW-UHFFFAOYSA-N
XLogP1.33
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide
CID 5427449
N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 922325
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
1-[(4-bromophenyl)methyl]-N-(pyridin-4-ylmethylideneamino)piperidine-4-carboxamide
CID 1275412
1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea
CID 2407544
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229
N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5394876
[(E)-pyridin-4-ylmethylideneamino]carbamic acid;hydrate
CID 88512822
methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate
CID 6020609
N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide
CID 6231530
trans-(1S,2S)-2-phenyl-N-(pyridin-4-ylmethylideneamino)cyclopropane-1-carboxamide
CID 129359921

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide?
The IUPAC name of N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide (CID 54518207) is N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide.
What is the SMILES notation for N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide?
The canonical SMILES for N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide is O=C(NN=Cc1ccncc1)C1CCC1.
What is the InChIKey of N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide?
The InChIKey is YNWYKIBZGGOUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c15-11(10-2-1-3-10)14-13-8-9-4-6-12-7-5-9/h4-8,10H,1-3H2,(H,14,15).
What are the key properties of N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide?
N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide has a molecular weight of 203.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide is sourced from PubChem (CID 54518207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).