N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-4-morpholin-4-ylpyridine-2-carboxamide

C22H26ClFN4O5 — CID 155264948

IUPACN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NCC(O)CCNC(=O)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C22H26ClFN4O5/c23-18-2-1-17(12-19(18)24)33-14-21(30)27-13-16(29)4-6-26-22(31)20-11-15(3-5-25-20)28-7-9-32-10-8-28/h1-3,5,11-12,16,29H,4,6-10,13-14H2,(H,26,31)(H,27,30)
InChIKeyJIRZHAHIDTZKKQ-UHFFFAOYSA-N
MW480.92 g/mol
LogP1.39
Rot. Bonds10

About N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-4-morpholin-4-ylpyridine-2-carboxamide

N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 155264948) has the molecular formula C22H26ClFN4O5 and a molecular weight of 480.92 g/mol. Its IUPAC name is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID155264948
Molecular FormulaC22H26ClFN4O5
Molecular Weight480.92 g/mol
Exact Mass480.16
IUPAC NameN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NCC(O)CCNC(=O)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C22H26ClFN4O5/c23-18-2-1-17(12-19(18)24)33-14-21(30)27-13-16(29)4-6-26-22(31)20-11-15(3-5-25-20)28-7-9-32-10-8-28/h1-3,5,11-12,16,29H,4,6-10,13-14H2,(H,26,31)(H,27,30)
InChIKeyJIRZHAHIDTZKKQ-UHFFFAOYSA-N
XLogP1.39
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.92
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-4-morpholin-4-ylpyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide
CID 155264893
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-2-[4-(difluoromethyl)phenoxy]acetamide
CID 138632447
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 155264683
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 155265110
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
CID 155302933
3-tert-butyl-N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-1,2-oxazole-5-carboxamide
CID 155264678
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetyl]amino]-3-hydroxybutyl]acetamide
CID 155303042
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxybutyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 138632728
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-2-(5-fluoro-2-oxopyrimidin-1-yl)acetamide
CID 155303096
2-(4-chloro-3-fluorophenoxy)-N-[3-hydroxy-4-[[2-[6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]oxyacetyl]amino]butyl]acetamide
CID 138632731
2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
CID 138632756
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-4-morpholin-4-ylpyridine-2-carboxamide (CID 155264948) is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-4-morpholin-4-ylpyridine-2-carboxamide is O=C(COc1ccc(Cl)c(F)c1)NCC(O)CCNC(=O)c1cc(N2CCOCC2)ccn1.
What is the InChIKey of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is JIRZHAHIDTZKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN4O5/c23-18-2-1-17(12-19(18)24)33-14-21(30)27-13-16(29)4-6-26-22(31)20-11-15(3-5-25-20)28-7-9-32-10-8-28/h1-3,5,11-12,16,29H,4,6-10,13-14H2,(H,26,31)(H,27,30).
What are the key properties of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-4-morpholin-4-ylpyridine-2-carboxamide?
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-4-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 480.92 g/mol, XLogP of 1.39, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 155264948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).