(Z)-N-pyridin-2-yloctadec-9-enamide

C23H38N2O — CID 145189388

IUPAC(Z)-N-pyridin-2-yloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)Nc1ccccn1
InChIInChI=1S/C23H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(26)25-22-19-17-18-21-24-22/h9-10,17-19,21H,2-8,11-16,20H2,1H3,(H,24,25,26)/b10-9-
InChIKeyQCFBUZLZUWUDCB-KTKRTIGZSA-N
MW358.57 g/mol
LogP7.06
Rot. Bonds16

About (Z)-N-pyridin-2-yloctadec-9-enamide

(Z)-N-pyridin-2-yloctadec-9-enamide (PubChem CID 145189388) has the molecular formula C23H38N2O and a molecular weight of 358.57 g/mol. Its IUPAC name is (Z)-N-pyridin-2-yloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-pyridin-2-yloctadec-9-enamide
PubChem CID145189388
Molecular FormulaC23H38N2O
Molecular Weight358.57 g/mol
Exact Mass358.30
IUPAC Name(Z)-N-pyridin-2-yloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)Nc1ccccn1
InChIInChI=1S/C23H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(26)25-22-19-17-18-21-24-22/h9-10,17-19,21H,2-8,11-16,20H2,1H3,(H,24,25,26)/b10-9-
InChIKeyQCFBUZLZUWUDCB-KTKRTIGZSA-N
XLogP7.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
(Z)-N-quinolin-2-yloctadec-9-enamide
CID 145189390
(Z)-N-(2-hydroxyphenyl)octadec-9-enamide
CID 52916764
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
N-pyrimidin-2-ylundecanamide
CID 4180610
N-pyrimidin-2-ylnonanamide
CID 4089811
N-pyrimidin-2-yltetradecanamide
CID 4052382
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784
(Z)-N-(2,6-diethylphenyl)octadec-9-enamide
CID 15743064

Frequently Asked Questions

What is the IUPAC name of (Z)-N-pyridin-2-yloctadec-9-enamide?
The IUPAC name of (Z)-N-pyridin-2-yloctadec-9-enamide (CID 145189388) is (Z)-N-pyridin-2-yloctadec-9-enamide.
What is the SMILES notation for (Z)-N-pyridin-2-yloctadec-9-enamide?
The canonical SMILES for (Z)-N-pyridin-2-yloctadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)Nc1ccccn1.
What is the InChIKey of (Z)-N-pyridin-2-yloctadec-9-enamide?
The InChIKey is QCFBUZLZUWUDCB-KTKRTIGZSA-N. The full InChI is InChI=1S/C23H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(26)25-22-19-17-18-21-24-22/h9-10,17-19,21H,2-8,11-16,20H2,1H3,(H,24,25,26)/b10-9-.
What are the key properties of (Z)-N-pyridin-2-yloctadec-9-enamide?
(Z)-N-pyridin-2-yloctadec-9-enamide has a molecular weight of 358.57 g/mol, XLogP of 7.06, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-pyridin-2-yloctadec-9-enamide is sourced from PubChem (CID 145189388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).