N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridine-4-carboxamide

C15H19N3O — CID 5356472

IUPACN-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridine-4-carboxamide
SMILESCC1=C/C(=N/NC(=O)c2ccncc2)CC(C)(C)C1
InChIInChI=1S/C15H19N3O/c1-11-8-13(10-15(2,3)9-11)17-18-14(19)12-4-6-16-7-5-12/h4-8H,9-10H2,1-3H3,(H,18,19)/b17-13-
InChIKeyTUNOKQRAOHXRJU-LGMDPLHJSA-N
MW257.34 g/mol
LogP2.93
Rot. Bonds2

About N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridine-4-carboxamide

N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridine-4-carboxamide (PubChem CID 5356472) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridine-4-carboxamide
PubChem CID5356472
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridine-4-carboxamide
SMILESCC1=C/C(=N/NC(=O)c2ccncc2)CC(C)(C)C1
InChIInChI=1S/C15H19N3O/c1-11-8-13(10-15(2,3)9-11)17-18-14(19)12-4-6-16-7-5-12/h4-8H,9-10H2,1-3H3,(H,18,19)/b17-13-
InChIKeyTUNOKQRAOHXRJU-LGMDPLHJSA-N
XLogP2.93
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.93
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-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridine-4-carboxamide (CID 5356472) is N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridine-4-carboxamide is CC1=C/C(=N/NC(=O)c2ccncc2)CC(C)(C)C1.
What is the InChIKey of N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridine-4-carboxamide?
The InChIKey is TUNOKQRAOHXRJU-LGMDPLHJSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-8-13(10-15(2,3)9-11)17-18-14(19)12-4-6-16-7-5-12/h4-8H,9-10H2,1-3H3,(H,18,19)/b17-13-.
What are the key properties of N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridine-4-carboxamide?
N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridine-4-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridine-4-carboxamide is sourced from PubChem (CID 5356472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).