4,5-bis(ethenyl)-N-(ethoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide;molecular hydrogen

C13H22N2O2 — CID 171659129

IUPAC4,5-bis(ethenyl)-N-(ethoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide;molecular hydrogen
SMILESC=CC1=C(C=C)CN(C(=O)NCOCC)CC1.[H][H]
InChIInChI=1S/C13H20N2O2.H2/c1-4-11-7-8-15(9-12(11)5-2)13(16)14-10-17-6-3;/h4-5H,1-2,6-10H2,3H3,(H,14,16);1H
InChIKeyANLLKOCIQOCWDN-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.31
Rot. Bonds5

About 4,5-bis(ethenyl)-N-(ethoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide;molecular hydrogen

4,5-bis(ethenyl)-N-(ethoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide;molecular hydrogen (PubChem CID 171659129) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-N-(ethoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4,5-bis(ethenyl)-N-(ethoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide;molecular hydrogen
PubChem CID171659129
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4,5-bis(ethenyl)-N-(ethoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide;molecular hydrogen
SMILESC=CC1=C(C=C)CN(C(=O)NCOCC)CC1.[H][H]
InChIInChI=1S/C13H20N2O2.H2/c1-4-11-7-8-15(9-12(11)5-2)13(16)14-10-17-6-3;/h4-5H,1-2,6-10H2,3H3,(H,14,16);1H
InChIKeyANLLKOCIQOCWDN-UHFFFAOYSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(ethoxymethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 10756207
tert-butyl 4,5-bis(ethenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 162757444
(2E)-1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methoxy-2-(4-propylpiperidin-3-ylidene)ethanone
CID 155741926
ethane;1-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3,6,7-tetrahydroazepin-1-yl]ethanone
CID 145342041
(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-(1-methoxycyclopropyl)methanone
CID 170018146
1-azabicyclo[2.2.1]heptan-3-yl 4,5-bis(ethenyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboximidate
CID 156731802
4-ethenyl-5-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
CID 139399524
4-[(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]butanoic acid
CID 122021420
N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide
CID 142428251
N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide
CID 87880276
4,5-bis(ethenyl)-N-[(3-hydroxy-1-azabicyclo[2.2.1]heptan-3-yl)methyl]-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 156731817
ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate
CID 110675946

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-N-(ethoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide;molecular hydrogen?
The IUPAC name of 4,5-bis(ethenyl)-N-(ethoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide;molecular hydrogen (CID 171659129) is 4,5-bis(ethenyl)-N-(ethoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 4,5-bis(ethenyl)-N-(ethoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide;molecular hydrogen?
The canonical SMILES for 4,5-bis(ethenyl)-N-(ethoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide;molecular hydrogen is C=CC1=C(C=C)CN(C(=O)NCOCC)CC1.[H][H].
What is the InChIKey of 4,5-bis(ethenyl)-N-(ethoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide;molecular hydrogen?
The InChIKey is ANLLKOCIQOCWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.H2/c1-4-11-7-8-15(9-12(11)5-2)13(16)14-10-17-6-3;/h4-5H,1-2,6-10H2,3H3,(H,14,16);1H.
What are the key properties of 4,5-bis(ethenyl)-N-(ethoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide;molecular hydrogen?
4,5-bis(ethenyl)-N-(ethoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide;molecular hydrogen has a molecular weight of 238.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-N-(ethoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 171659129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).