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

C20H26N2O3 — CID 143001984

IUPACN-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESC=CC1=C(/C=C\C)CCN(C(=O)NC2=CC=C(OC)C=C(OC)C2)C1
InChIInChI=1S/C20H26N2O3/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/h5-9,13H,2,10-12,14H2,1,3-4H3,(H,21,23)/b7-5-
InChIKeyZZFUKBDVTFUYHY-ALCCZGGFSA-N
MW342.44 g/mol
LogP3.81
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

N-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 143001984) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 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.

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
PubChem CID143001984
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
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
SMILESC=CC1=C(/C=C\C)CCN(C(=O)NC2=CC=C(OC)C=C(OC)C2)C1
InChIInChI=1S/C20H26N2O3/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/h5-9,13H,2,10-12,14H2,1,3-4H3,(H,21,23)/b7-5-
InChIKeyZZFUKBDVTFUYHY-ALCCZGGFSA-N
XLogP3.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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?
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 (CID 143001984) 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.
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?
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 is C=CC1=C(/C=C\C)CCN(C(=O)NC2=CC=C(OC)C=C(OC)C2)C1.
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?
The InChIKey is ZZFUKBDVTFUYHY-ALCCZGGFSA-N. The full InChI is InChI=1S/C20H26N2O3/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/h5-9,13H,2,10-12,14H2,1,3-4H3,(H,21,23)/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?
N-(4,6-dimethoxycyclohepta-1,3,5-trien-1-yl)-5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.81, 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 is sourced from PubChem (CID 143001984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).