N-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane

C22H32N2O3 — CID 143001983

IUPACN-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane
SMILESC=CC1=C(/C=C\C)CCN(C(=O)NC2=CC=C(OC)C=C(OC)C2)C1.CC
InChIInChI=1S/C20H26N2O3.C2H6/c1-5-7-16-10-11-22(14-15(16)6-2)20(23)21-17-8-9-18(24-3)13-19(12-17)25-4;1-2/h5-9,13H,2,10-12,14H2,1,3-4H3,(H,21,23);1-2H3/b7-5-;
InChIKeyXXJZEMYGGSCYLD-YJOCEBFMSA-N
MW372.51 g/mol
LogP4.83
Rot. Bonds5

About N-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane

N-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane (PubChem CID 143001983) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane.

Molecular Properties

Compound NameN-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane
PubChem CID143001983
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC NameN-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane
SMILESC=CC1=C(/C=C\C)CCN(C(=O)NC2=CC=C(OC)C=C(OC)C2)C1.CC
InChIInChI=1S/C20H26N2O3.C2H6/c1-5-7-16-10-11-22(14-15(16)6-2)20(23)21-17-8-9-18(24-3)13-19(12-17)25-4;1-2/h5-9,13H,2,10-12,14H2,1,3-4H3,(H,21,23);1-2H3/b7-5-;
InChIKeyXXJZEMYGGSCYLD-YJOCEBFMSA-N
XLogP4.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane?
The IUPAC name of N-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane (CID 143001983) is N-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane.
What is the SMILES notation for N-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane?
The canonical SMILES for N-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane is C=CC1=C(/C=C\C)CCN(C(=O)NC2=CC=C(OC)C=C(OC)C2)C1.CC.
What is the InChIKey of N-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane?
The InChIKey is XXJZEMYGGSCYLD-YJOCEBFMSA-N. The full InChI is InChI=1S/C20H26N2O3.C2H6/c1-5-7-16-10-11-22(14-15(16)6-2)20(23)21-17-8-9-18(24-3)13-19(12-17)25-4;1-2/h5-9,13H,2,10-12,14H2,1,3-4H3,(H,21,23);1-2H3/b7-5-;.
What are the key properties of N-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane?
N-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane has a molecular weight of 372.51 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane is sourced from PubChem (CID 143001983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).