N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide

C18H20N4O — CID 109026283

IUPACN-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1cccc(C#N)c1)CCc1ccncc1
InChIInChI=1S/C18H20N4O/c1-22(11-7-15-5-9-20-10-6-15)12-8-18(23)21-17-4-2-3-16(13-17)14-19/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,21,23)
InChIKeyPRWRNAFBMGCYFB-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.46
Rot. Bonds7

About N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide

N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide (PubChem CID 109026283) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
PubChem CID109026283
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1cccc(C#N)c1)CCc1ccncc1
InChIInChI=1S/C18H20N4O/c1-22(11-7-15-5-9-20-10-6-15)12-8-18(23)21-17-4-2-3-16(13-17)14-19/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,21,23)
InChIKeyPRWRNAFBMGCYFB-UHFFFAOYSA-N
XLogP2.46
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026236
N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 80712090
N-(4-acetamidophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026239
N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide
CID 33477524
1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109149214
N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026232
N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide
CID 115666850
3-(3-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113146923
N-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43569140
3-[tert-butyl(methylsulfonyl)amino]-N-(3-cyanophenyl)propanamide
CID 113140951
N-(3-cyanophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide
CID 115898088
N-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389703

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide (CID 109026283) is N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide is CN(CCC(=O)Nc1cccc(C#N)c1)CCc1ccncc1.
What is the InChIKey of N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The InChIKey is PRWRNAFBMGCYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-22(11-7-15-5-9-20-10-6-15)12-8-18(23)21-17-4-2-3-16(13-17)14-19/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,21,23).
What are the key properties of N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide has a molecular weight of 308.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide is sourced from PubChem (CID 109026283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).