N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide

C22H26N4O — CID 133170086

IUPACN-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
SMILESCCN1c2cc(C)c(/C=N/NC(=O)c3ccccn3)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H26N4O/c1-6-26-20-11-15(2)17(12-18(20)16(3)13-22(26,4)5)14-24-25-21(27)19-9-7-8-10-23-19/h7-14H,6H2,1-5H3,(H,25,27)/b24-14+
InChIKeyGVVHZZNKMUSHCV-ZVHZXABRSA-N
MW362.48 g/mol
LogP4.18
Rot. Bonds4

About N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide

N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide (PubChem CID 133170086) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
PubChem CID133170086
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
SMILESCCN1c2cc(C)c(/C=N/NC(=O)c3ccccn3)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H26N4O/c1-6-26-20-11-15(2)17(12-18(20)16(3)13-22(26,4)5)14-24-25-21(27)19-9-7-8-10-23-19/h7-14H,6H2,1-5H3,(H,25,27)/b24-14+
InChIKeyGVVHZZNKMUSHCV-ZVHZXABRSA-N
XLogP4.18
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide (CID 133170086) is N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide is CCN1c2cc(C)c(/C=N/NC(=O)c3ccccn3)cc2C(C)=CC1(C)C.
What is the InChIKey of N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is GVVHZZNKMUSHCV-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H26N4O/c1-6-26-20-11-15(2)17(12-18(20)16(3)13-22(26,4)5)14-24-25-21(27)19-9-7-8-10-23-19/h7-14H,6H2,1-5H3,(H,25,27)/b24-14+.
What are the key properties of N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide?
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 133170086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).