N-(cycloheptylideneamino)pyridine-4-carboxamide

C13H17N3O — CID 27527

IUPACN-(cycloheptylideneamino)pyridine-4-carboxamide
SMILESO=C(NN=C1CCCCCC1)c1ccncc1
InChIInChI=1S/C13H17N3O/c17-13(11-7-9-14-10-8-11)16-15-12-5-3-1-2-4-6-12/h7-10H,1-6H2,(H,16,17)
InChIKeyGPPOWELDCJJAIZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.52
Rot. Bonds2

About N-(cycloheptylideneamino)pyridine-4-carboxamide

N-(cycloheptylideneamino)pyridine-4-carboxamide (PubChem CID 27527) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(cycloheptylideneamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cycloheptylideneamino)pyridine-4-carboxamide
PubChem CID27527
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(cycloheptylideneamino)pyridine-4-carboxamide
SMILESO=C(NN=C1CCCCCC1)c1ccncc1
InChIInChI=1S/C13H17N3O/c17-13(11-7-9-14-10-8-11)16-15-12-5-3-1-2-4-6-12/h7-10H,1-6H2,(H,16,17)
InChIKeyGPPOWELDCJJAIZ-UHFFFAOYSA-N
XLogP2.52
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)pyridine-4-carboxamide?
The IUPAC name of N-(cycloheptylideneamino)pyridine-4-carboxamide (CID 27527) is N-(cycloheptylideneamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(cycloheptylideneamino)pyridine-4-carboxamide?
The canonical SMILES for N-(cycloheptylideneamino)pyridine-4-carboxamide is O=C(NN=C1CCCCCC1)c1ccncc1.
What is the InChIKey of N-(cycloheptylideneamino)pyridine-4-carboxamide?
The InChIKey is GPPOWELDCJJAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13(11-7-9-14-10-8-11)16-15-12-5-3-1-2-4-6-12/h7-10H,1-6H2,(H,16,17).
What are the key properties of N-(cycloheptylideneamino)pyridine-4-carboxamide?
N-(cycloheptylideneamino)pyridine-4-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)pyridine-4-carboxamide is sourced from PubChem (CID 27527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).