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

C20H22N4O — CID 133170764

IUPACN-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
SMILESCC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccccn3)cc21
InChIInChI=1S/C20H22N4O/c1-14-12-20(2,3)24(4)18-9-8-15(11-16(14)18)13-22-23-19(25)17-7-5-6-10-21-17/h5-13H,1-4H3,(H,23,25)/b22-13+
InChIKeyXOUVLMCMIOOVIE-LPYMAVHISA-N
MW334.42 g/mol
LogP3.48
Rot. Bonds3

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

N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide (PubChem CID 133170764) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
PubChem CID133170764
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
SMILESCC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccccn3)cc21
InChIInChI=1S/C20H22N4O/c1-14-12-20(2,3)24(4)18-9-8-15(11-16(14)18)13-22-23-19(25)17-7-5-6-10-21-17/h5-13H,1-4H3,(H,23,25)/b22-13+
InChIKeyXOUVLMCMIOOVIE-LPYMAVHISA-N
XLogP3.48
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.48
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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Related Compounds

3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide
CID 50864186
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
CID 133170086
2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide
CID 133170800
[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]thiourea
CID 50864127
N-[(Z)-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]pyridine-2-carboxamide
CID 99885543
N-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine
CID 50864201
3-chloro-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868196
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide
CID 133170834
3-bromo-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868220
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-fluorobenzamide
CID 50866202
2-bromo-N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzamide
CID 133170826
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50866258

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide (CID 133170764) is N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide is CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccccn3)cc21.
What is the InChIKey of N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is XOUVLMCMIOOVIE-LPYMAVHISA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-12-20(2,3)24(4)18-9-8-15(11-16(14)18)13-22-23-19(25)17-7-5-6-10-21-17/h5-13H,1-4H3,(H,23,25)/b22-13+.
What are the key properties of N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide?
N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 133170764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).