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

C24H26N4O3 — CID 71122267

IUPAC4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NCCc2cccc(Oc3ccnc(C(=O)NC)c3)c2)cc1
InChIInChI=1S/C24H26N4O3/c1-3-26-19-9-7-18(8-10-19)23(29)28-13-11-17-5-4-6-20(15-17)31-21-12-14-27-22(16-21)24(30)25-2/h4-10,12,14-16,26H,3,11,13H2,1-2H3,(H,25,30)(H,28,29)
InChIKeyPXQGCDJALNSROO-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.64
Rot. Bonds9

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

4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 71122267) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID71122267
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NCCc2cccc(Oc3ccnc(C(=O)NC)c3)c2)cc1
InChIInChI=1S/C24H26N4O3/c1-3-26-19-9-7-18(8-10-19)23(29)28-13-11-17-5-4-6-20(15-17)31-21-12-14-27-22(16-21)24(30)25-2/h4-10,12,14-16,26H,3,11,13H2,1-2H3,(H,25,30)(H,28,29)
InChIKeyPXQGCDJALNSROO-UHFFFAOYSA-N
XLogP3.64
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051719
4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051717
4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051896
N-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 89291718
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
2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 25052237
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040
4-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-2-phenylpyrimidine-5-carboxamide
CID 25050082
4-[3-[2-[[2-(2-isocyanophenyl)sulfanylbenzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 59685030
4-chloro-N-[2-[3-[[2-(N,N'-dimethylcarbamimidoyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide
CID 59685045
N-methyl-4-[3-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide
CID 10454929

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide (CID 71122267) is 4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide is CCNc1ccc(C(=O)NCCc2cccc(Oc3ccnc(C(=O)NC)c3)c2)cc1.
What is the InChIKey of 4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is PXQGCDJALNSROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-3-26-19-9-7-18(8-10-19)23(29)28-13-11-17-5-4-6-20(15-17)31-21-12-14-27-22(16-21)24(30)25-2/h4-10,12,14-16,26H,3,11,13H2,1-2H3,(H,25,30)(H,28,29).
What are the key properties of 4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.64, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 71122267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).