N-[6-[[2-(3,4-dichlorophenoxy)acetyl]amino]hex-1-en-3-yl]pyridine-2-carboxamide

C20H21Cl2N3O3 — CID 155264954

IUPACN-[6-[[2-(3,4-dichlorophenoxy)acetyl]amino]hex-1-en-3-yl]pyridine-2-carboxamide
SMILESC=CC(CCCNC(=O)COc1ccc(Cl)c(Cl)c1)NC(=O)c1ccccn1
InChIInChI=1S/C20H21Cl2N3O3/c1-2-14(25-20(27)18-7-3-4-10-23-18)6-5-11-24-19(26)13-28-15-8-9-16(21)17(22)12-15/h2-4,7-10,12,14H,1,5-6,11,13H2,(H,24,26)(H,25,27)
InChIKeyRWDUMONKKNTLQI-UHFFFAOYSA-N
MW422.31 g/mol
LogP3.65
Rot. Bonds10

About N-[6-[[2-(3,4-dichlorophenoxy)acetyl]amino]hex-1-en-3-yl]pyridine-2-carboxamide

N-[6-[[2-(3,4-dichlorophenoxy)acetyl]amino]hex-1-en-3-yl]pyridine-2-carboxamide (PubChem CID 155264954) has the molecular formula C20H21Cl2N3O3 and a molecular weight of 422.31 g/mol. Its IUPAC name is N-[6-[[2-(3,4-dichlorophenoxy)acetyl]amino]hex-1-en-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[[2-(3,4-dichlorophenoxy)acetyl]amino]hex-1-en-3-yl]pyridine-2-carboxamide
PubChem CID155264954
Molecular FormulaC20H21Cl2N3O3
Molecular Weight422.31 g/mol
Exact Mass421.10
IUPAC NameN-[6-[[2-(3,4-dichlorophenoxy)acetyl]amino]hex-1-en-3-yl]pyridine-2-carboxamide
SMILESC=CC(CCCNC(=O)COc1ccc(Cl)c(Cl)c1)NC(=O)c1ccccn1
InChIInChI=1S/C20H21Cl2N3O3/c1-2-14(25-20(27)18-7-3-4-10-23-18)6-5-11-24-19(26)13-28-15-8-9-16(21)17(22)12-15/h2-4,7-10,12,14H,1,5-6,11,13H2,(H,24,26)(H,25,27)
InChIKeyRWDUMONKKNTLQI-UHFFFAOYSA-N
XLogP3.65
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide
CID 39490271
N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
CID 119382882
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2991309
N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide
CID 115636790
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate
CID 175188468
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
CID 155264607
N-[2-(cyanoamino)ethyl]-2-(3,4-dichlorophenoxy)acetamide
CID 154687601
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119505786
2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 7604220
2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(3,4-dichlorophenoxy)ethylamino]-2-hydroxyhex-5-enyl]acetamide
CID 138632427
2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 46456245
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325

Frequently Asked Questions

What is the IUPAC name of N-[6-[[2-(3,4-dichlorophenoxy)acetyl]amino]hex-1-en-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[6-[[2-(3,4-dichlorophenoxy)acetyl]amino]hex-1-en-3-yl]pyridine-2-carboxamide (CID 155264954) is N-[6-[[2-(3,4-dichlorophenoxy)acetyl]amino]hex-1-en-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-[[2-(3,4-dichlorophenoxy)acetyl]amino]hex-1-en-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-[[2-(3,4-dichlorophenoxy)acetyl]amino]hex-1-en-3-yl]pyridine-2-carboxamide is C=CC(CCCNC(=O)COc1ccc(Cl)c(Cl)c1)NC(=O)c1ccccn1.
What is the InChIKey of N-[6-[[2-(3,4-dichlorophenoxy)acetyl]amino]hex-1-en-3-yl]pyridine-2-carboxamide?
The InChIKey is RWDUMONKKNTLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3/c1-2-14(25-20(27)18-7-3-4-10-23-18)6-5-11-24-19(26)13-28-15-8-9-16(21)17(22)12-15/h2-4,7-10,12,14H,1,5-6,11,13H2,(H,24,26)(H,25,27).
What are the key properties of N-[6-[[2-(3,4-dichlorophenoxy)acetyl]amino]hex-1-en-3-yl]pyridine-2-carboxamide?
N-[6-[[2-(3,4-dichlorophenoxy)acetyl]amino]hex-1-en-3-yl]pyridine-2-carboxamide has a molecular weight of 422.31 g/mol, XLogP of 3.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[2-(3,4-dichlorophenoxy)acetyl]amino]hex-1-en-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155264954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).