N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide

C20H26ClN3O2 — CID 141088419

IUPACN-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide
SMILESCCN(CC)CCOc1ccc(NC(=O)CCc2ccccn2)cc1Cl
InChIInChI=1S/C20H26ClN3O2/c1-3-24(4-2)13-14-26-19-10-8-17(15-18(19)21)23-20(25)11-9-16-7-5-6-12-22-16/h5-8,10,12,15H,3-4,9,11,13-14H2,1-2H3,(H,23,25)
InChIKeyUVAVOVHCBXIJCO-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.03
Rot. Bonds10

About N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide

N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide (PubChem CID 141088419) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide
PubChem CID141088419
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide
SMILESCCN(CC)CCOc1ccc(NC(=O)CCc2ccccn2)cc1Cl
InChIInChI=1S/C20H26ClN3O2/c1-3-24(4-2)13-14-26-19-10-8-17(15-18(19)21)23-20(25)11-9-16-7-5-6-12-22-16/h5-8,10,12,15H,3-4,9,11,13-14H2,1-2H3,(H,23,25)
InChIKeyUVAVOVHCBXIJCO-UHFFFAOYSA-N
XLogP4.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 10479701
2-(diethylamino)ethyl 4-[3-(2-chlorophenoxy)propanoylamino]benzoate
CID 108789465
N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110389230
N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329818
N-(4-hydroxyphenyl)-3-pyridin-2-ylpropanamide
CID 80743821
2-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113163474
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
2-(3,4-dichlorophenyl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 17499285
4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride
CID 120564955
2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide
CID 60601007
1-[2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549686

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide (CID 141088419) is N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide is CCN(CC)CCOc1ccc(NC(=O)CCc2ccccn2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide?
The InChIKey is UVAVOVHCBXIJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-3-24(4-2)13-14-26-19-10-8-17(15-18(19)21)23-20(25)11-9-16-7-5-6-12-22-16/h5-8,10,12,15H,3-4,9,11,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide?
N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide has a molecular weight of 375.90 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 141088419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).