N-benzyl-6-ethoxy-N-prop-2-enylpyridine-3-carboxamide

C18H20N2O2 — CID 87002397

IUPACN-benzyl-6-ethoxy-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCN(Cc1ccccc1)C(=O)c1ccc(OCC)nc1
InChIInChI=1S/C18H20N2O2/c1-3-12-20(14-15-8-6-5-7-9-15)18(21)16-10-11-17(19-13-16)22-4-2/h3,5-11,13H,1,4,12,14H2,2H3
InChIKeyBOIWKICMJKYFMZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.31
Rot. Bonds7

About N-benzyl-6-ethoxy-N-prop-2-enylpyridine-3-carboxamide

N-benzyl-6-ethoxy-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 87002397) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-benzyl-6-ethoxy-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-ethoxy-N-prop-2-enylpyridine-3-carboxamide
PubChem CID87002397
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-benzyl-6-ethoxy-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCN(Cc1ccccc1)C(=O)c1ccc(OCC)nc1
InChIInChI=1S/C18H20N2O2/c1-3-12-20(14-15-8-6-5-7-9-15)18(21)16-10-11-17(19-13-16)22-4-2/h3,5-11,13H,1,4,12,14H2,2H3
InChIKeyBOIWKICMJKYFMZ-UHFFFAOYSA-N
XLogP3.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-6-methoxy-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 134031302
6-ethoxy-N-ethyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 78887407
N-benzyl-N-(furan-2-ylmethyl)-6-methoxypyridine-3-carboxamide
CID 34907486
N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide
CID 112819847
N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide
CID 5136606
2-[benzyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 130696057
3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide
CID 55917567
N-benzyl-2,2-dichloro-N-prop-2-enylacetamide
CID 10083827
N-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide
CID 2173614
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507
N-benzyl-4-chloro-3-(dimethylsulfamoyl)-N-prop-2-enylbenzamide
CID 31866538

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-ethoxy-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-ethoxy-N-prop-2-enylpyridine-3-carboxamide (CID 87002397) is N-benzyl-6-ethoxy-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-ethoxy-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-ethoxy-N-prop-2-enylpyridine-3-carboxamide is C=CCN(Cc1ccccc1)C(=O)c1ccc(OCC)nc1.
What is the InChIKey of N-benzyl-6-ethoxy-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is BOIWKICMJKYFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-12-20(14-15-8-6-5-7-9-15)18(21)16-10-11-17(19-13-16)22-4-2/h3,5-11,13H,1,4,12,14H2,2H3.
What are the key properties of N-benzyl-6-ethoxy-N-prop-2-enylpyridine-3-carboxamide?
N-benzyl-6-ethoxy-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-ethoxy-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 87002397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).