ethane;2-methyl-6-[3-methyl-4-(propan-2-ylideneamino)phenyl]imidazo[1,2-a]pyridine-8-carbonitrile;2,2,4,6,6-pentamethylpiperidine

C31H45N5 — CID 153383221

IUPACethane;2-methyl-6-[3-methyl-4-(propan-2-ylideneamino)phenyl]imidazo[1,2-a]pyridine-8-carbonitrile;2,2,4,6,6-pentamethylpiperidine
SMILESCC.CC(C)=Nc1ccc(-c2cc(C#N)c3nc(C)cn3c2)cc1C.CC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H18N4.C10H21N.C2H6/c1-12(2)21-18-6-5-15(7-13(18)3)17-8-16(9-20)19-22-14(4)10-23(19)11-17;1-8-6-9(2,3)11-10(4,5)7-8;1-2/h5-8,10-11H,1-4H3;8,11H,6-7H2,1-5H3;1-2H3
InChIKeyQOKDXAXGWJOWTH-UHFFFAOYSA-N
MW487.74 g/mol
LogP8.19
Rot. Bonds2

About ethane;2-methyl-6-[3-methyl-4-(propan-2-ylideneamino)phenyl]imidazo[1,2-a]pyridine-8-carbonitrile;2,2,4,6,6-pentamethylpiperidine

ethane;2-methyl-6-[3-methyl-4-(propan-2-ylideneamino)phenyl]imidazo[1,2-a]pyridine-8-carbonitrile;2,2,4,6,6-pentamethylpiperidine (PubChem CID 153383221) has the molecular formula C31H45N5 and a molecular weight of 487.74 g/mol. Its IUPAC name is ethane;2-methyl-6-[3-methyl-4-(propan-2-ylideneamino)phenyl]imidazo[1,2-a]pyridine-8-carbonitrile;2,2,4,6,6-pentamethylpiperidine.

Molecular Properties

Compound Nameethane;2-methyl-6-[3-methyl-4-(propan-2-ylideneamino)phenyl]imidazo[1,2-a]pyridine-8-carbonitrile;2,2,4,6,6-pentamethylpiperidine
PubChem CID153383221
Molecular FormulaC31H45N5
Molecular Weight487.74 g/mol
Exact Mass487.37
IUPAC Nameethane;2-methyl-6-[3-methyl-4-(propan-2-ylideneamino)phenyl]imidazo[1,2-a]pyridine-8-carbonitrile;2,2,4,6,6-pentamethylpiperidine
SMILESCC.CC(C)=Nc1ccc(-c2cc(C#N)c3nc(C)cn3c2)cc1C.CC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H18N4.C10H21N.C2H6/c1-12(2)21-18-6-5-15(7-13(18)3)17-8-16(9-20)19-22-14(4)10-23(19)11-17;1-8-6-9(2,3)11-10(4,5)7-8;1-2/h5-8,10-11H,1-4H3;8,11H,6-7H2,1-5H3;1-2H3
InChIKeyQOKDXAXGWJOWTH-UHFFFAOYSA-N
XLogP8.19
TPSA65.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.74
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-[3-methyl-4-(propan-2-ylideneamino)phenyl]imidazo[1,2-a]pyridine-8-carbonitrile;2,2,4,6,6-pentamethylpiperidine?
The IUPAC name of ethane;2-methyl-6-[3-methyl-4-(propan-2-ylideneamino)phenyl]imidazo[1,2-a]pyridine-8-carbonitrile;2,2,4,6,6-pentamethylpiperidine (CID 153383221) is ethane;2-methyl-6-[3-methyl-4-(propan-2-ylideneamino)phenyl]imidazo[1,2-a]pyridine-8-carbonitrile;2,2,4,6,6-pentamethylpiperidine.
What is the SMILES notation for ethane;2-methyl-6-[3-methyl-4-(propan-2-ylideneamino)phenyl]imidazo[1,2-a]pyridine-8-carbonitrile;2,2,4,6,6-pentamethylpiperidine?
The canonical SMILES for ethane;2-methyl-6-[3-methyl-4-(propan-2-ylideneamino)phenyl]imidazo[1,2-a]pyridine-8-carbonitrile;2,2,4,6,6-pentamethylpiperidine is CC.CC(C)=Nc1ccc(-c2cc(C#N)c3nc(C)cn3c2)cc1C.CC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of ethane;2-methyl-6-[3-methyl-4-(propan-2-ylideneamino)phenyl]imidazo[1,2-a]pyridine-8-carbonitrile;2,2,4,6,6-pentamethylpiperidine?
The InChIKey is QOKDXAXGWJOWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4.C10H21N.C2H6/c1-12(2)21-18-6-5-15(7-13(18)3)17-8-16(9-20)19-22-14(4)10-23(19)11-17;1-8-6-9(2,3)11-10(4,5)7-8;1-2/h5-8,10-11H,1-4H3;8,11H,6-7H2,1-5H3;1-2H3.
What are the key properties of ethane;2-methyl-6-[3-methyl-4-(propan-2-ylideneamino)phenyl]imidazo[1,2-a]pyridine-8-carbonitrile;2,2,4,6,6-pentamethylpiperidine?
ethane;2-methyl-6-[3-methyl-4-(propan-2-ylideneamino)phenyl]imidazo[1,2-a]pyridine-8-carbonitrile;2,2,4,6,6-pentamethylpiperidine has a molecular weight of 487.74 g/mol, XLogP of 8.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-[3-methyl-4-(propan-2-ylideneamino)phenyl]imidazo[1,2-a]pyridine-8-carbonitrile;2,2,4,6,6-pentamethylpiperidine is sourced from PubChem (CID 153383221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).