6-(4-chlorohexa-2,4-dien-3-yloxymethyl)-N-(1-cyclohexylethyl)pyridine-3-carboxamide

C21H29ClN2O2 — CID 123887193

IUPAC6-(4-chlorohexa-2,4-dien-3-yloxymethyl)-N-(1-cyclohexylethyl)pyridine-3-carboxamide
SMILESCC=C(Cl)C(=CC)OCc1ccc(C(=O)NC(C)C2CCCCC2)cn1
InChIInChI=1S/C21H29ClN2O2/c1-4-19(22)20(5-2)26-14-18-12-11-17(13-23-18)21(25)24-15(3)16-9-7-6-8-10-16/h4-5,11-13,15-16H,6-10,14H2,1-3H3,(H,24,25)
InChIKeyNAJBLLWGBSXYSX-UHFFFAOYSA-N
MW376.93 g/mol
LogP5.34
Rot. Bonds7

About 6-(4-chlorohexa-2,4-dien-3-yloxymethyl)-N-(1-cyclohexylethyl)pyridine-3-carboxamide

6-(4-chlorohexa-2,4-dien-3-yloxymethyl)-N-(1-cyclohexylethyl)pyridine-3-carboxamide (PubChem CID 123887193) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 6-(4-chlorohexa-2,4-dien-3-yloxymethyl)-N-(1-cyclohexylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chlorohexa-2,4-dien-3-yloxymethyl)-N-(1-cyclohexylethyl)pyridine-3-carboxamide
PubChem CID123887193
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC Name6-(4-chlorohexa-2,4-dien-3-yloxymethyl)-N-(1-cyclohexylethyl)pyridine-3-carboxamide
SMILESCC=C(Cl)C(=CC)OCc1ccc(C(=O)NC(C)C2CCCCC2)cn1
InChIInChI=1S/C21H29ClN2O2/c1-4-19(22)20(5-2)26-14-18-12-11-17(13-23-18)21(25)24-15(3)16-9-7-6-8-10-16/h4-5,11-13,15-16H,6-10,14H2,1-3H3,(H,24,25)
InChIKeyNAJBLLWGBSXYSX-UHFFFAOYSA-N
XLogP5.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.93
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-N-[3-(2-p-tolyloxy-acetylamino)-propyl]-nicotinamide
CID 6498659
6-Methyl-N-[2-(2-p-tolyloxy-acetylamino)-ethyl]-nicotinamide
CID 6498628
6-methyl-N-(3-{[(3-methylphenoxy)acetyl]amino}propyl)nicotinamide
CID 6498658
N-(3-{[(3,4-dimethylphenoxy)acetyl]amino}propyl)-6-methylnicotinamide
CID 6498660
N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315627
6-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide
CID 58315677
6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide
CID 58315714
N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315763
N-(4-morpholin-2-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67239273
N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67239559
N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67240142
[2-Oxo-2-(3-phenylpropylamino)ethyl] pyridine-2-carboxylate
CID 2366016

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorohexa-2,4-dien-3-yloxymethyl)-N-(1-cyclohexylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-chlorohexa-2,4-dien-3-yloxymethyl)-N-(1-cyclohexylethyl)pyridine-3-carboxamide (CID 123887193) is 6-(4-chlorohexa-2,4-dien-3-yloxymethyl)-N-(1-cyclohexylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-chlorohexa-2,4-dien-3-yloxymethyl)-N-(1-cyclohexylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-chlorohexa-2,4-dien-3-yloxymethyl)-N-(1-cyclohexylethyl)pyridine-3-carboxamide is CC=C(Cl)C(=CC)OCc1ccc(C(=O)NC(C)C2CCCCC2)cn1.
What is the InChIKey of 6-(4-chlorohexa-2,4-dien-3-yloxymethyl)-N-(1-cyclohexylethyl)pyridine-3-carboxamide?
The InChIKey is NAJBLLWGBSXYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O2/c1-4-19(22)20(5-2)26-14-18-12-11-17(13-23-18)21(25)24-15(3)16-9-7-6-8-10-16/h4-5,11-13,15-16H,6-10,14H2,1-3H3,(H,24,25).
What are the key properties of 6-(4-chlorohexa-2,4-dien-3-yloxymethyl)-N-(1-cyclohexylethyl)pyridine-3-carboxamide?
6-(4-chlorohexa-2,4-dien-3-yloxymethyl)-N-(1-cyclohexylethyl)pyridine-3-carboxamide has a molecular weight of 376.93 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorohexa-2,4-dien-3-yloxymethyl)-N-(1-cyclohexylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 123887193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).