N-[(E)-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide

C22H28N4O — CID 133170444

IUPACN-[(E)-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
SMILESCC1CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3ccccn3)cc21
InChIInChI=1S/C22H28N4O/c1-15(2)26-20-10-9-17(12-18(20)16(3)13-22(26,4)5)14-24-25-21(27)19-8-6-7-11-23-19/h6-12,14-16H,13H2,1-5H3,(H,25,27)/b24-14+
InChIKeyHLKUFGVZPJJDCV-ZVHZXABRSA-N
MW364.49 g/mol
LogP4.35
Rot. Bonds4

About N-[(E)-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide

N-[(E)-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide (PubChem CID 133170444) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(E)-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
PubChem CID133170444
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-[(E)-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
SMILESCC1CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3ccccn3)cc21
InChIInChI=1S/C22H28N4O/c1-15(2)26-20-10-9-17(12-18(20)16(3)13-22(26,4)5)14-24-25-21(27)19-8-6-7-11-23-19/h6-12,14-16H,13H2,1-5H3,(H,25,27)/b24-14+
InChIKeyHLKUFGVZPJJDCV-ZVHZXABRSA-N
XLogP4.35
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.35
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'}

Analyze N-[(E)-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[(Z)-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]pyridine-2-carboxamide
CID 99885543
3-(trifluoromethyl)-N-[(E)-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 133170492
N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
CID 133170587
N-[(E)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 133170197
N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
CID 50863863
4-chloro-N-[(E)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 133170286
4-chloro-N-[(Z)-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]benzamide
CID 99885631
N-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 133170340
N-[(Z)-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]acetamide
CID 99885591
N-[(Z)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-hydroxybenzamide
CID 133170391
4-fluoro-N-[(Z)-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]benzamide
CID 99885492
4-methyl-N-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50858351

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide (CID 133170444) is N-[(E)-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide is CC1CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3ccccn3)cc21.
What is the InChIKey of N-[(E)-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is HLKUFGVZPJJDCV-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H28N4O/c1-15(2)26-20-10-9-17(12-18(20)16(3)13-22(26,4)5)14-24-25-21(27)19-8-6-7-11-23-19/h6-12,14-16H,13H2,1-5H3,(H,25,27)/b24-14+.
What are the key properties of N-[(E)-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide?
N-[(E)-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 133170444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).