1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride

C21H27ClN2O — CID 87925983

IUPAC1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride
SMILESCC(=O)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.Cl
InChIInChI=1S/C21H26N2O.ClH/c1-13(2)17-9-7-10-18(14(3)4)21(17)22-15(5)19-11-8-12-20(23-19)16(6)24;/h7-14H,1-6H3;1H/b22-15+;
InChIKeyNOJMXEZFIGTNEQ-WXXHTBLMSA-N
MW358.91 g/mol
LogP6.09
Rot. Bonds5

About 1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride

1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride (PubChem CID 87925983) has the molecular formula C21H27ClN2O and a molecular weight of 358.91 g/mol. Its IUPAC name is 1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride
PubChem CID87925983
Molecular FormulaC21H27ClN2O
Molecular Weight358.91 g/mol
Exact Mass358.18
IUPAC Name1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride
SMILESCC(=O)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.Cl
InChIInChI=1S/C21H26N2O.ClH/c1-13(2)17-9-7-10-18(14(3)4)21(17)22-15(5)19-11-8-12-20(23-19)16(6)24;/h7-14H,1-6H3;1H/b22-15+;
InChIKeyNOJMXEZFIGTNEQ-WXXHTBLMSA-N
XLogP6.09
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.91
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron
CID 16726514
dichlorocobalt;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 21133068
cobalt;dichloro(iodo)-λ3-iodane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 158415061
N,N'-bis[2,6-di(propan-2-yl)phenyl]-1,4-bis[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]butane-1,4-diimine
CID 139120109
cobalt;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine
CID 87859497
N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 23567899
cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;dichloride
CID 173243944
1-(6-acetyl-2-pyridinyl)ethanone;bis(2,6-di(propan-2-yl)aniline)
CID 122573036
1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(2-methoxy-6-methylphenyl)ethanimine
CID 102457865
benzene;bis(N-[2,6-di(propan-2-yl)phenyl]-1-[7-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1,8-naphthyridin-2-yl]ethanimine);nickel;dibromide
CID 139142390
N-(2-chloro-6-methylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloroiron
CID 161432910
N-[2-[1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]ethyl]-N-propan-2-ylpropan-2-amine
CID 102049036

Frequently Asked Questions

What is the IUPAC name of 1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride?
The IUPAC name of 1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride (CID 87925983) is 1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride?
The canonical SMILES for 1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride is CC(=O)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.Cl.
What is the InChIKey of 1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride?
The InChIKey is NOJMXEZFIGTNEQ-WXXHTBLMSA-N. The full InChI is InChI=1S/C21H26N2O.ClH/c1-13(2)17-9-7-10-18(14(3)4)21(17)22-15(5)19-11-8-12-20(23-19)16(6)24;/h7-14H,1-6H3;1H/b22-15+;.
What are the key properties of 1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride?
1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride is sourced from PubChem (CID 87925983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).