(Z)-18-pyridin-3-yloctadec-9-enamide

C23H38N2O — CID 122703819

IUPAC(Z)-18-pyridin-3-yloctadec-9-enamide
SMILESNC(=O)CCCCCCC/C=C\CCCCCCCCc1cccnc1
InChIInChI=1S/C23H38N2O/c24-23(26)19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-22-18-16-20-25-21-22/h1,3,16,18,20-21H,2,4-15,17,19H2,(H2,24,26)/b3-1-
InChIKeyASKGXQLXDQQDAP-IWQZZHSRSA-N
MW358.57 g/mol
LogP6.13
Rot. Bonds17

About (Z)-18-pyridin-3-yloctadec-9-enamide

(Z)-18-pyridin-3-yloctadec-9-enamide (PubChem CID 122703819) has the molecular formula C23H38N2O and a molecular weight of 358.57 g/mol. Its IUPAC name is (Z)-18-pyridin-3-yloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-18-pyridin-3-yloctadec-9-enamide
PubChem CID122703819
Molecular FormulaC23H38N2O
Molecular Weight358.57 g/mol
Exact Mass358.30
IUPAC Name(Z)-18-pyridin-3-yloctadec-9-enamide
SMILESNC(=O)CCCCCCC/C=C\CCCCCCCCc1cccnc1
InChIInChI=1S/C23H38N2O/c24-23(26)19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-22-18-16-20-25-21-22/h1,3,16,18,20-21H,2,4-15,17,19H2,(H2,24,26)/b3-1-
InChIKeyASKGXQLXDQQDAP-IWQZZHSRSA-N
XLogP6.13
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 56.13
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

(E)-12-pyridin-3-yldodec-3-en-1-ol
CID 11043541
3-[(E)-7-iodohept-6-enyl]pyridine
CID 11833526
pyridin-3-ylmethyl (Z)-nonadec-8-enoate
CID 91700351
pyridin-3-ylmethyl (Z)-tetradec-9-enoate
CID 91700112
pyridin-3-ylmethyl (Z)-nonadec-11-enoate
CID 91700109
tert-butyl N-[(E)-12-pyridin-3-yldodec-3-enyl]carbamate
CID 11142934
(Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine
CID 23426295
N-(14-pyridin-3-yltetradec-11-enylidene)hydroxylamine
CID 85169050
(2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol
CID 10061128
8-pyridin-3-yloctan-1-ol
CID 11830623
3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868
(9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide
CID 122703922

Frequently Asked Questions

What is the IUPAC name of (Z)-18-pyridin-3-yloctadec-9-enamide?
The IUPAC name of (Z)-18-pyridin-3-yloctadec-9-enamide (CID 122703819) is (Z)-18-pyridin-3-yloctadec-9-enamide.
What is the SMILES notation for (Z)-18-pyridin-3-yloctadec-9-enamide?
The canonical SMILES for (Z)-18-pyridin-3-yloctadec-9-enamide is NC(=O)CCCCCCC/C=C\CCCCCCCCc1cccnc1.
What is the InChIKey of (Z)-18-pyridin-3-yloctadec-9-enamide?
The InChIKey is ASKGXQLXDQQDAP-IWQZZHSRSA-N. The full InChI is InChI=1S/C23H38N2O/c24-23(26)19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-22-18-16-20-25-21-22/h1,3,16,18,20-21H,2,4-15,17,19H2,(H2,24,26)/b3-1-.
What are the key properties of (Z)-18-pyridin-3-yloctadec-9-enamide?
(Z)-18-pyridin-3-yloctadec-9-enamide has a molecular weight of 358.57 g/mol, XLogP of 6.13, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-18-pyridin-3-yloctadec-9-enamide is sourced from PubChem (CID 122703819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).