N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methoxy-N-propylpyridine-3-carboxamide

C18H19Cl2N3O3 — CID 134062156

IUPACN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methoxy-N-propylpyridine-3-carboxamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cccnc1OC
InChIInChI=1S/C18H19Cl2N3O3/c1-3-9-23(18(25)13-5-4-8-21-17(13)26-2)11-16(24)22-15-10-12(19)6-7-14(15)20/h4-8,10H,3,9,11H2,1-2H3,(H,22,24)
InChIKeyTWWBNNNTGGSEJX-UHFFFAOYSA-N
MW396.27 g/mol
LogP3.89
Rot. Bonds7

About N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methoxy-N-propylpyridine-3-carboxamide

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methoxy-N-propylpyridine-3-carboxamide (PubChem CID 134062156) has the molecular formula C18H19Cl2N3O3 and a molecular weight of 396.27 g/mol. Its IUPAC name is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methoxy-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methoxy-N-propylpyridine-3-carboxamide
PubChem CID134062156
Molecular FormulaC18H19Cl2N3O3
Molecular Weight396.27 g/mol
Exact Mass395.08
IUPAC NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methoxy-N-propylpyridine-3-carboxamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cccnc1OC
InChIInChI=1S/C18H19Cl2N3O3/c1-3-9-23(18(25)13-5-4-8-21-17(13)26-2)11-16(24)22-15-10-12(19)6-7-14(15)20/h4-8,10H,3,9,11H2,1-2H3,(H,22,24)
InChIKeyTWWBNNNTGGSEJX-UHFFFAOYSA-N
XLogP3.89
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 7930247
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-6-methyl-N-propylpyridine-3-carboxamide
CID 51330638
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 60546451
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 7696648
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3,4-dimethyl-N-propylbenzamide
CID 112789981
N-(2,5-dichlorophenyl)-2-[[2-(2-methoxyethoxy)acetyl]-propylamino]acetamide
CID 78797414
N-(2,5-dichlorophenyl)-2-[[2-(3-fluorophenoxy)acetyl]-propylamino]acetamide
CID 2709227
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylhexanamide
CID 55328661
N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide
CID 56538621
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide
CID 52892061
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42977412

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methoxy-N-propylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methoxy-N-propylpyridine-3-carboxamide (CID 134062156) is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methoxy-N-propylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methoxy-N-propylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methoxy-N-propylpyridine-3-carboxamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cccnc1OC.
What is the InChIKey of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methoxy-N-propylpyridine-3-carboxamide?
The InChIKey is TWWBNNNTGGSEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3/c1-3-9-23(18(25)13-5-4-8-21-17(13)26-2)11-16(24)22-15-10-12(19)6-7-14(15)20/h4-8,10H,3,9,11H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methoxy-N-propylpyridine-3-carboxamide?
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methoxy-N-propylpyridine-3-carboxamide has a molecular weight of 396.27 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methoxy-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 134062156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).