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

C26H30N4O3 — CID 25051717

IUPAC4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NCCc2cccc(Oc3ccnc(C(=O)NC)c3)c2)cc1
InChIInChI=1S/C26H30N4O3/c1-4-30(5-2)21-11-9-20(10-12-21)25(31)29-15-13-19-7-6-8-22(17-19)33-23-14-16-28-24(18-23)26(32)27-3/h6-12,14,16-18H,4-5,13,15H2,1-3H3,(H,27,32)(H,29,31)
InChIKeyRDVARKMYCUZNLV-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.05
Rot. Bonds10

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

4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 25051717) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID25051717
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NCCc2cccc(Oc3ccnc(C(=O)NC)c3)c2)cc1
InChIInChI=1S/C26H30N4O3/c1-4-30(5-2)21-11-9-20(10-12-21)25(31)29-15-13-19-7-6-8-22(17-19)33-23-14-16-28-24(18-23)26(32)27-3/h6-12,14,16-18H,4-5,13,15H2,1-3H3,(H,27,32)(H,29,31)
InChIKeyRDVARKMYCUZNLV-UHFFFAOYSA-N
XLogP4.05
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051719
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
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109088154

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide (CID 25051717) is 4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide is CCN(CC)c1ccc(C(=O)NCCc2cccc(Oc3ccnc(C(=O)NC)c3)c2)cc1.
What is the InChIKey of 4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is RDVARKMYCUZNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-4-30(5-2)21-11-9-20(10-12-21)25(31)29-15-13-19-7-6-8-22(17-19)33-23-14-16-28-24(18-23)26(32)27-3/h6-12,14,16-18H,4-5,13,15H2,1-3H3,(H,27,32)(H,29,31).
What are the key properties of 4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 4.05, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 25051717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).