4-[4-[[2-ethyl-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide

C25H22FN5O3 — CID 165090348

IUPAC4-[4-[[2-ethyl-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCCc1nc(-c2ccc(F)cc2)c(C(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)[nH]1
InChIInChI=1S/C25H22FN5O3/c1-3-21-30-22(15-4-6-16(26)7-5-15)23(31-21)25(33)29-17-8-10-18(11-9-17)34-19-12-13-28-20(14-19)24(32)27-2/h4-14H,3H2,1-2H3,(H,27,32)(H,29,33)(H,30,31)
InChIKeyWPAOOEAPTJUHLC-UHFFFAOYSA-N
MW459.48 g/mol
LogP4.58
Rot. Bonds7

About 4-[4-[[2-ethyl-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[[2-ethyl-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 165090348) has the molecular formula C25H22FN5O3 and a molecular weight of 459.48 g/mol. Its IUPAC name is 4-[4-[[2-ethyl-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[2-ethyl-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID165090348
Molecular FormulaC25H22FN5O3
Molecular Weight459.48 g/mol
Exact Mass459.17
IUPAC Name4-[4-[[2-ethyl-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCCc1nc(-c2ccc(F)cc2)c(C(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)[nH]1
InChIInChI=1S/C25H22FN5O3/c1-3-21-30-22(15-4-6-16(26)7-5-15)23(31-21)25(33)29-17-8-10-18(11-9-17)34-19-12-13-28-20(14-19)24(32)27-2/h4-14H,3H2,1-2H3,(H,27,32)(H,29,33)(H,30,31)
InChIKeyWPAOOEAPTJUHLC-UHFFFAOYSA-N
XLogP4.58
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[[2-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 90337814
4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 71609349
5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfinyl-1,3-oxazole-4-carboxamide
CID 71262703
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965
4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 130247726
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
4-[4-[[(E)-3-(6-fluoro-1H-indol-3-yl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 130248769

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-ethyl-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[[2-ethyl-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide (CID 165090348) is 4-[4-[[2-ethyl-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[2-ethyl-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[2-ethyl-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide is CCc1nc(-c2ccc(F)cc2)c(C(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)[nH]1.
What is the InChIKey of 4-[4-[[2-ethyl-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is WPAOOEAPTJUHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O3/c1-3-21-30-22(15-4-6-16(26)7-5-15)23(31-21)25(33)29-17-8-10-18(11-9-17)34-19-12-13-28-20(14-19)24(32)27-2/h4-14H,3H2,1-2H3,(H,27,32)(H,29,33)(H,30,31).
What are the key properties of 4-[4-[[2-ethyl-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[[2-ethyl-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 459.48 g/mol, XLogP of 4.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-ethyl-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 165090348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).