(E)-7-phenyl-7-pyridin-3-ylhept-6-enamide

C18H20N2O — CID 13417329

IUPAC(E)-7-phenyl-7-pyridin-3-ylhept-6-enamide
SMILESNC(=O)CCCC/C=C(\c1ccccc1)c1cccnc1
InChIInChI=1S/C18H20N2O/c19-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-20-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H2,19,21)/b17-11+
InChIKeyXVSJQUJPICTLFV-GZTJUZNOSA-N
MW280.37 g/mol
LogP3.56
Rot. Bonds7

About (E)-7-phenyl-7-pyridin-3-ylhept-6-enamide

(E)-7-phenyl-7-pyridin-3-ylhept-6-enamide (PubChem CID 13417329) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-7-phenyl-7-pyridin-3-ylhept-6-enamide.

Molecular Properties

Compound Name(E)-7-phenyl-7-pyridin-3-ylhept-6-enamide
PubChem CID13417329
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(E)-7-phenyl-7-pyridin-3-ylhept-6-enamide
SMILESNC(=O)CCCC/C=C(\c1ccccc1)c1cccnc1
InChIInChI=1S/C18H20N2O/c19-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-20-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H2,19,21)/b17-11+
InChIKeyXVSJQUJPICTLFV-GZTJUZNOSA-N
XLogP3.56
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid
CID 13417263
(E)-12-phenyl-12-pyridin-3-yldodec-11-enoic acid
CID 13417267
3-[(E)-1-phenylhex-1-enyl]pyridine
CID 67869388
(Z)-2,2-dimethyl-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
CID 13417291
(E)-7-(2-bromophenyl)-7-pyridin-3-ylhept-6-enoic acid
CID 13417273
(7-phenyl-7-pyridin-3-ylhept-6-enyl) N-phenylcarbamate
CID 54017112
(E)-7-pyridin-3-yl-7-thiophen-2-ylhept-6-enoic acid
CID 13285833
(E)-2-(2-hydroxypropan-2-yl)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
CID 13417319
methyl (E)-2-(2-hydroxypropan-2-yl)-7-phenyl-7-pyridin-3-ylhept-6-enoate
CID 86740123
(Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid
CID 10320222
methyl (Z)-7-(4-nitrophenyl)-7-pyridin-3-ylhept-6-enoate
CID 10020139
O-[(E)-7-phenyl-7-pyridin-3-ylhept-6-enyl] N-phenylcarbamothioate
CID 13423327

Frequently Asked Questions

What is the IUPAC name of (E)-7-phenyl-7-pyridin-3-ylhept-6-enamide?
The IUPAC name of (E)-7-phenyl-7-pyridin-3-ylhept-6-enamide (CID 13417329) is (E)-7-phenyl-7-pyridin-3-ylhept-6-enamide.
What is the SMILES notation for (E)-7-phenyl-7-pyridin-3-ylhept-6-enamide?
The canonical SMILES for (E)-7-phenyl-7-pyridin-3-ylhept-6-enamide is NC(=O)CCCC/C=C(\c1ccccc1)c1cccnc1.
What is the InChIKey of (E)-7-phenyl-7-pyridin-3-ylhept-6-enamide?
The InChIKey is XVSJQUJPICTLFV-GZTJUZNOSA-N. The full InChI is InChI=1S/C18H20N2O/c19-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-20-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H2,19,21)/b17-11+.
What are the key properties of (E)-7-phenyl-7-pyridin-3-ylhept-6-enamide?
(E)-7-phenyl-7-pyridin-3-ylhept-6-enamide has a molecular weight of 280.37 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-phenyl-7-pyridin-3-ylhept-6-enamide is sourced from PubChem (CID 13417329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).