(E)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-pyridin-2-ylprop-2-enamide

C17H17ClN2O — CID 56816677

IUPAC(E)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-pyridin-2-ylprop-2-enamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)/C=C/c1ccccn1
InChIInChI=1S/C17H17ClN2O/c1-13(14-6-8-15(18)9-7-14)20(2)17(21)11-10-16-5-3-4-12-19-16/h3-13H,1-2H3/b11-10+
InChIKeyCCTAKCPZRSIUCS-ZHACJKMWSA-N
MW300.79 g/mol
LogP3.97
Rot. Bonds4

About (E)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-pyridin-2-ylprop-2-enamide

(E)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-pyridin-2-ylprop-2-enamide (PubChem CID 56816677) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is (E)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-pyridin-2-ylprop-2-enamide
PubChem CID56816677
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name(E)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-pyridin-2-ylprop-2-enamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)/C=C/c1ccccn1
InChIInChI=1S/C17H17ClN2O/c1-13(14-6-8-15(18)9-7-14)20(2)17(21)11-10-16-5-3-4-12-19-16/h3-13H,1-2H3/b11-10+
InChIKeyCCTAKCPZRSIUCS-ZHACJKMWSA-N
XLogP3.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide
CID 166408201
(Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 92856000
(2S)-2-(4-chlorophenyl)-3-methyl-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]butanamide
CID 7762141
(2R)-2-(4-chlorophenyl)-3-methyl-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]butanamide
CID 7762152
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 91942831
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 112841348
propan-2-yl (E)-3-pyridin-2-ylprop-2-enoate
CID 11148208
(E)-3-(3,5-dichlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 24560290
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 95567536
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253
N-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide
CID 112725740

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-pyridin-2-ylprop-2-enamide (CID 56816677) is (E)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-pyridin-2-ylprop-2-enamide is CC(c1ccc(Cl)cc1)N(C)C(=O)/C=C/c1ccccn1.
What is the InChIKey of (E)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-pyridin-2-ylprop-2-enamide?
The InChIKey is CCTAKCPZRSIUCS-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-13(14-6-8-15(18)9-7-14)20(2)17(21)11-10-16-5-3-4-12-19-16/h3-13H,1-2H3/b11-10+.
What are the key properties of (E)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-pyridin-2-ylprop-2-enamide?
(E)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-pyridin-2-ylprop-2-enamide has a molecular weight of 300.79 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 56816677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).