N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide

C20H21Cl2N3O4 — CID 155264607

IUPACN-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESC=C(CCNC(=O)c1cc(CCO)ccn1)NC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H21Cl2N3O4/c1-13(25-19(27)12-29-15-2-3-16(21)17(22)11-15)4-7-24-20(28)18-10-14(6-9-26)5-8-23-18/h2-3,5,8,10-11,26H,1,4,6-7,9,12H2,(H,24,28)(H,25,27)
InChIKeyXOKWFCQTSYPSQY-UHFFFAOYSA-N
MW438.31 g/mol
LogP2.75
Rot. Bonds10

About N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide

N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide (PubChem CID 155264607) has the molecular formula C20H21Cl2N3O4 and a molecular weight of 438.31 g/mol. Its IUPAC name is N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
PubChem CID155264607
Molecular FormulaC20H21Cl2N3O4
Molecular Weight438.31 g/mol
Exact Mass437.09
IUPAC NameN-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESC=C(CCNC(=O)c1cc(CCO)ccn1)NC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H21Cl2N3O4/c1-13(25-19(27)12-29-15-2-3-16(21)17(22)11-15)4-7-24-20(28)18-10-14(6-9-26)5-8-23-18/h2-3,5,8,10-11,26H,1,4,6-7,9,12H2,(H,24,28)(H,25,27)
InChIKeyXOKWFCQTSYPSQY-UHFFFAOYSA-N
XLogP2.75
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.31
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-5-ethylpyridine-2-carboxamide
CID 155264541
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-4-methylpyridine-2-carboxamide
CID 170000150
4-(acetamidomethyl)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]pyridine-2-carboxamide
CID 155265005
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 155265150
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-4-methoxypyridine-2-carboxamide
CID 155264549
2-(4-chloro-N-methylanilino)-N-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-1-en-2-yl]acetamide
CID 138632668
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide
CID 155264535
4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide
CID 155264716
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-2-phenylacetamide
CID 138632411
N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide
CID 115636790
5-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]pyridine-3-carboxamide
CID 155265207
N-[2-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-ylamino]-2-oxoethyl]-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 138632449

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide (CID 155264607) is N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide is C=C(CCNC(=O)c1cc(CCO)ccn1)NC(=O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide?
The InChIKey is XOKWFCQTSYPSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O4/c1-13(25-19(27)12-29-15-2-3-16(21)17(22)11-15)4-7-24-20(28)18-10-14(6-9-26)5-8-23-18/h2-3,5,8,10-11,26H,1,4,6-7,9,12H2,(H,24,28)(H,25,27).
What are the key properties of N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide?
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide has a molecular weight of 438.31 g/mol, XLogP of 2.75, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155264607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).