4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide

C22H20ClN3O3 — CID 25051719

IUPAC4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(Cl)cc3)c2)ccn1
InChIInChI=1S/C22H20ClN3O3/c1-24-22(28)20-14-19(10-12-25-20)29-18-4-2-3-15(13-18)9-11-26-21(27)16-5-7-17(23)8-6-16/h2-8,10,12-14H,9,11H2,1H3,(H,24,28)(H,26,27)
InChIKeyYPQXANHGUCOGQG-UHFFFAOYSA-N
MW409.87 g/mol
LogP3.86
Rot. Bonds7

About 4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide

4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 25051719) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is 4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID25051719
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC Name4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(Cl)cc3)c2)ccn1
InChIInChI=1S/C22H20ClN3O3/c1-24-22(28)20-14-19(10-12-25-20)29-18-4-2-3-15(13-18)9-11-26-21(27)16-5-7-17(23)8-6-16/h2-8,10,12-14H,9,11H2,1H3,(H,24,28)(H,26,27)
InChIKeyYPQXANHGUCOGQG-UHFFFAOYSA-N
XLogP3.86
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 89291718
4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051896
4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 71122267
4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051717
N-methyl-4-[3-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 25050084
N-methyl-4-[3-[2-[[3-(trifluoromethoxy)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 25050892
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040
2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 25052237
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
4-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-2-phenylpyrimidine-5-carboxamide
CID 25050082
4-chloro-N-[2-[3-[[2-(N,N'-dimethylcarbamimidoyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide
CID 59685045
4-[3-[2-[[2-(2-isocyanophenyl)sulfanylbenzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 59685030

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide (CID 25051719) is 4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(Cl)cc3)c2)ccn1.
What is the InChIKey of 4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is YPQXANHGUCOGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-24-22(28)20-14-19(10-12-25-20)29-18-4-2-3-15(13-18)9-11-26-21(27)16-5-7-17(23)8-6-16/h2-8,10,12-14H,9,11H2,1H3,(H,24,28)(H,26,27).
What are the key properties of 4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 409.87 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 25051719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).