N-methyl-3-(5-methylfuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide

C16H18N2O2 — CID 102603870

IUPACN-methyl-3-(5-methylfuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)N(C)CCc2ccccn2)o1
InChIInChI=1S/C16H18N2O2/c1-13-6-7-15(20-13)8-9-16(19)18(2)12-10-14-5-3-4-11-17-14/h3-9,11H,10,12H2,1-2H3
InChIKeyRYLVPXVKPGOSTI-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.70
Rot. Bonds5

About N-methyl-3-(5-methylfuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide

N-methyl-3-(5-methylfuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide (PubChem CID 102603870) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-methyl-3-(5-methylfuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-3-(5-methylfuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
PubChem CID102603870
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-methyl-3-(5-methylfuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)N(C)CCc2ccccn2)o1
InChIInChI=1S/C16H18N2O2/c1-13-6-7-15(20-13)8-9-16(19)18(2)12-10-14-5-3-4-11-17-14/h3-9,11H,10,12H2,1-2H3
InChIKeyRYLVPXVKPGOSTI-UHFFFAOYSA-N
XLogP2.70
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 713006
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol
CID 113372422
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
N'-[(5-methylfuran-2-yl)methyl]-N'-(2-pyridin-2-ylethyl)oxamide
CID 174561707
phenyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate
CID 60681158
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 134008705
(E,2R)-5-(5-methylfuran-2-yl)-3-oxo-2-pyridin-2-ylpent-4-enenitrile
CID 94189734
ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172838

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-methylfuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
The IUPAC name of N-methyl-3-(5-methylfuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide (CID 102603870) is N-methyl-3-(5-methylfuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide.
What is the SMILES notation for N-methyl-3-(5-methylfuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
The canonical SMILES for N-methyl-3-(5-methylfuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide is Cc1ccc(C=CC(=O)N(C)CCc2ccccn2)o1.
What is the InChIKey of N-methyl-3-(5-methylfuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
The InChIKey is RYLVPXVKPGOSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-13-6-7-15(20-13)8-9-16(19)18(2)12-10-14-5-3-4-11-17-14/h3-9,11H,10,12H2,1-2H3.
What are the key properties of N-methyl-3-(5-methylfuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
N-methyl-3-(5-methylfuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide has a molecular weight of 270.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-methylfuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide is sourced from PubChem (CID 102603870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).