4-[4-[3-(4-chloro-5-methyl-2-morpholin-4-ylanilino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide

C27H29ClN4O4 — CID 147275550

IUPAC4-[4-[3-(4-chloro-5-methyl-2-morpholin-4-ylanilino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(CCC(=O)Nc3cc(C)c(Cl)cc3N3CCOCC3)cc2)ccn1
InChIInChI=1S/C27H29ClN4O4/c1-18-15-23(25(17-22(18)28)32-11-13-35-14-12-32)31-26(33)8-5-19-3-6-20(7-4-19)36-21-9-10-30-24(16-21)27(34)29-2/h3-4,6-7,9-10,15-17H,5,8,11-14H2,1-2H3,(H,29,34)(H,31,33)
InChIKeyCRHDVOJLJWDEEG-UHFFFAOYSA-N
MW509.01 g/mol
LogP4.60
Rot. Bonds8

About 4-[4-[3-(4-chloro-5-methyl-2-morpholin-4-ylanilino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[3-(4-chloro-5-methyl-2-morpholin-4-ylanilino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 147275550) has the molecular formula C27H29ClN4O4 and a molecular weight of 509.01 g/mol. Its IUPAC name is 4-[4-[3-(4-chloro-5-methyl-2-morpholin-4-ylanilino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[3-(4-chloro-5-methyl-2-morpholin-4-ylanilino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID147275550
Molecular FormulaC27H29ClN4O4
Molecular Weight509.01 g/mol
Exact Mass508.19
IUPAC Name4-[4-[3-(4-chloro-5-methyl-2-morpholin-4-ylanilino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(CCC(=O)Nc3cc(C)c(Cl)cc3N3CCOCC3)cc2)ccn1
InChIInChI=1S/C27H29ClN4O4/c1-18-15-23(25(17-22(18)28)32-11-13-35-14-12-32)31-26(33)8-5-19-3-6-20(7-4-19)36-21-9-10-30-24(16-21)27(34)29-2/h3-4,6-7,9-10,15-17H,5,8,11-14H2,1-2H3,(H,29,34)(H,31,33)
InChIKeyCRHDVOJLJWDEEG-UHFFFAOYSA-N
XLogP4.60
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.01
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-[3-(4-chloro-5-methyl-2-morpholin-4-ylanilino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

4-[4-[3-[4-chloro-2-[2-(dimethylamino)ethoxy]-5-methylanilino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 159272609
1-[[4-[[2-(2-aminopropanoyl)-4-pyridinyl]oxy]phenyl]methyl]-3-(4-chloro-5-methyl-2-morpholin-4-ylphenyl)urea
CID 66612703
4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58674639
4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58674488
4-[4-[[(4-chloro-5-methyl-2-pyrrol-1-ylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 90044519
4-[4-[[[4-chloro-2-[2-(dimethylamino)ethyl-methylamino]-5-methylphenyl]carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 90044540
4-[4-[[[5-chloro-4-methyl-2-(2-piperazin-1-ylethoxy)phenyl]carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 90044140
4-[4-[3-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 159439313
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
4-[4-[[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 68784559
4-[2-chloro-4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58674310
4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 139036241

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(4-chloro-5-methyl-2-morpholin-4-ylanilino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[3-(4-chloro-5-methyl-2-morpholin-4-ylanilino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide (CID 147275550) is 4-[4-[3-(4-chloro-5-methyl-2-morpholin-4-ylanilino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[3-(4-chloro-5-methyl-2-morpholin-4-ylanilino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[3-(4-chloro-5-methyl-2-morpholin-4-ylanilino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(CCC(=O)Nc3cc(C)c(Cl)cc3N3CCOCC3)cc2)ccn1.
What is the InChIKey of 4-[4-[3-(4-chloro-5-methyl-2-morpholin-4-ylanilino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is CRHDVOJLJWDEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O4/c1-18-15-23(25(17-22(18)28)32-11-13-35-14-12-32)31-26(33)8-5-19-3-6-20(7-4-19)36-21-9-10-30-24(16-21)27(34)29-2/h3-4,6-7,9-10,15-17H,5,8,11-14H2,1-2H3,(H,29,34)(H,31,33).
What are the key properties of 4-[4-[3-(4-chloro-5-methyl-2-morpholin-4-ylanilino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[3-(4-chloro-5-methyl-2-morpholin-4-ylanilino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 509.01 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(4-chloro-5-methyl-2-morpholin-4-ylanilino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 147275550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).