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

C24H26N4O3 — CID 25051896

IUPAC4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(N(C)C)cc3)c2)ccn1
InChIInChI=1S/C24H26N4O3/c1-25-24(30)22-16-21(12-14-26-22)31-20-6-4-5-17(15-20)11-13-27-23(29)18-7-9-19(10-8-18)28(2)3/h4-10,12,14-16H,11,13H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyPEZWRNRBFGUNHA-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.27
Rot. Bonds8

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

4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 25051896) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID25051896
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(N(C)C)cc3)c2)ccn1
InChIInChI=1S/C24H26N4O3/c1-25-24(30)22-16-21(12-14-26-22)31-20-6-4-5-17(15-20)11-13-27-23(29)18-7-9-19(10-8-18)28(2)3/h4-10,12,14-16H,11,13H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyPEZWRNRBFGUNHA-UHFFFAOYSA-N
XLogP3.27
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051717
4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051719
4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 71122267
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-N-[2-(3-methoxyphenyl)ethyl]-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109088154
4-[4-[4-[3-(dimethylamino)phenyl]-3-oxobutyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 160705084

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide (CID 25051896) is 4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(N(C)C)cc3)c2)ccn1.
What is the InChIKey of 4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is PEZWRNRBFGUNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-25-24(30)22-16-21(12-14-26-22)31-20-6-4-5-17(15-20)11-13-27-23(29)18-7-9-19(10-8-18)28(2)3/h4-10,12,14-16H,11,13H2,1-3H3,(H,25,30)(H,27,29).
What are the key properties of 4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 25051896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).