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

C17H21N3O — CID 112983683

IUPACN-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N(C)CCc2ccncc2)cc1
InChIInChI=1S/C17H21N3O/c1-3-17(21)19-15-4-6-16(7-5-15)20(2)13-10-14-8-11-18-12-9-14/h4-9,11-12H,3,10,13H2,1-2H3,(H,19,21)
InChIKeyLFZXVIMAFHVJAT-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.11
Rot. Bonds6

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

N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide (PubChem CID 112983683) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide
PubChem CID112983683
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N(C)CCc2ccncc2)cc1
InChIInChI=1S/C17H21N3O/c1-3-17(21)19-15-4-6-16(7-5-15)20(2)13-10-14-8-11-18-12-9-14/h4-9,11-12H,3,10,13H2,1-2H3,(H,19,21)
InChIKeyLFZXVIMAFHVJAT-UHFFFAOYSA-N
XLogP3.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
CID 112983699
3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
CID 112983707
N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 47102790
N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237137
N-(4-acetamidophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026239
2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
CID 112983725
N-[4-(dimethylamino)phenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527350
N-(4-fluorophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237107
N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159164
N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
CID 112983750
N-(4-methoxyphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237121
5-[methyl(2-pyridin-4-ylethyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109237100

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide?
The IUPAC name of N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide (CID 112983683) is N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide?
The canonical SMILES for N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide is CCC(=O)Nc1ccc(N(C)CCc2ccncc2)cc1.
What is the InChIKey of N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide?
The InChIKey is LFZXVIMAFHVJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-17(21)19-15-4-6-16(7-5-15)20(2)13-10-14-8-11-18-12-9-14/h4-9,11-12H,3,10,13H2,1-2H3,(H,19,21).
What are the key properties of N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide?
N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide has a molecular weight of 283.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide is sourced from PubChem (CID 112983683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).