N-ethenyl-1-[1-(3-fluoro-4-methylphenyl)ethyl]azetidine-3-carboxamide;6-[ethyl(methyl)amino]pyridine-3-carbonitrile

C24H30FN5O — CID 156724368

IUPACN-ethenyl-1-[1-(3-fluoro-4-methylphenyl)ethyl]azetidine-3-carboxamide;6-[ethyl(methyl)amino]pyridine-3-carbonitrile
SMILESC=CNC(=O)C1CN(C(C)c2ccc(C)c(F)c2)C1.CCN(C)c1ccc(C#N)cn1
InChIInChI=1S/C15H19FN2O.C9H11N3/c1-4-17-15(19)13-8-18(9-13)11(3)12-6-5-10(2)14(16)7-12;1-3-12(2)9-5-4-8(6-10)7-11-9/h4-7,11,13H,1,8-9H2,2-3H3,(H,17,19);4-5,7H,3H2,1-2H3
InChIKeyQNWUXFBCPHVZLQ-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.80
Rot. Bonds6

About N-ethenyl-1-[1-(3-fluoro-4-methylphenyl)ethyl]azetidine-3-carboxamide;6-[ethyl(methyl)amino]pyridine-3-carbonitrile

N-ethenyl-1-[1-(3-fluoro-4-methylphenyl)ethyl]azetidine-3-carboxamide;6-[ethyl(methyl)amino]pyridine-3-carbonitrile (PubChem CID 156724368) has the molecular formula C24H30FN5O and a molecular weight of 423.54 g/mol. Its IUPAC name is N-ethenyl-1-[1-(3-fluoro-4-methylphenyl)ethyl]azetidine-3-carboxamide;6-[ethyl(methyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound NameN-ethenyl-1-[1-(3-fluoro-4-methylphenyl)ethyl]azetidine-3-carboxamide;6-[ethyl(methyl)amino]pyridine-3-carbonitrile
PubChem CID156724368
Molecular FormulaC24H30FN5O
Molecular Weight423.54 g/mol
Exact Mass423.24
IUPAC NameN-ethenyl-1-[1-(3-fluoro-4-methylphenyl)ethyl]azetidine-3-carboxamide;6-[ethyl(methyl)amino]pyridine-3-carbonitrile
SMILESC=CNC(=O)C1CN(C(C)c2ccc(C)c(F)c2)C1.CCN(C)c1ccc(C#N)cn1
InChIInChI=1S/C15H19FN2O.C9H11N3/c1-4-17-15(19)13-8-18(9-13)11(3)12-6-5-10(2)14(16)7-12;1-3-12(2)9-5-4-8(6-10)7-11-9/h4-7,11,13H,1,8-9H2,2-3H3,(H,17,19);4-5,7H,3H2,1-2H3
InChIKeyQNWUXFBCPHVZLQ-UHFFFAOYSA-N
XLogP3.80
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide;ethane
CID 156724132
1-[1-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
CID 175163146
N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide
CID 115268044
N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115268063
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 95321706
6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile
CID 55028427
6-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile
CID 47359929
6-[(4,4-difluorocyclohexyl)-methylamino]pyridine-3-carbonitrile
CID 170765180
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
CID 115650122
5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
CID 23143800
4-[(5-cyano-2-pyridinyl)-methylamino]oxolane-3-carboxylic acid
CID 66238193
6-[[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]-methylamino]pyridine-3-carbonitrile
CID 71877355

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-[1-(3-fluoro-4-methylphenyl)ethyl]azetidine-3-carboxamide;6-[ethyl(methyl)amino]pyridine-3-carbonitrile?
The IUPAC name of N-ethenyl-1-[1-(3-fluoro-4-methylphenyl)ethyl]azetidine-3-carboxamide;6-[ethyl(methyl)amino]pyridine-3-carbonitrile (CID 156724368) is N-ethenyl-1-[1-(3-fluoro-4-methylphenyl)ethyl]azetidine-3-carboxamide;6-[ethyl(methyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for N-ethenyl-1-[1-(3-fluoro-4-methylphenyl)ethyl]azetidine-3-carboxamide;6-[ethyl(methyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for N-ethenyl-1-[1-(3-fluoro-4-methylphenyl)ethyl]azetidine-3-carboxamide;6-[ethyl(methyl)amino]pyridine-3-carbonitrile is C=CNC(=O)C1CN(C(C)c2ccc(C)c(F)c2)C1.CCN(C)c1ccc(C#N)cn1.
What is the InChIKey of N-ethenyl-1-[1-(3-fluoro-4-methylphenyl)ethyl]azetidine-3-carboxamide;6-[ethyl(methyl)amino]pyridine-3-carbonitrile?
The InChIKey is QNWUXFBCPHVZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O.C9H11N3/c1-4-17-15(19)13-8-18(9-13)11(3)12-6-5-10(2)14(16)7-12;1-3-12(2)9-5-4-8(6-10)7-11-9/h4-7,11,13H,1,8-9H2,2-3H3,(H,17,19);4-5,7H,3H2,1-2H3.
What are the key properties of N-ethenyl-1-[1-(3-fluoro-4-methylphenyl)ethyl]azetidine-3-carboxamide;6-[ethyl(methyl)amino]pyridine-3-carbonitrile?
N-ethenyl-1-[1-(3-fluoro-4-methylphenyl)ethyl]azetidine-3-carboxamide;6-[ethyl(methyl)amino]pyridine-3-carbonitrile has a molecular weight of 423.54 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-[1-(3-fluoro-4-methylphenyl)ethyl]azetidine-3-carboxamide;6-[ethyl(methyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 156724368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).