4-[4-[[(4-bromo-2-ethylphenyl)-methylcarbamoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide

C23H23BrN4O3 — CID 144552419

IUPAC4-[4-[[(4-bromo-2-ethylphenyl)-methylcarbamoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCCc1cc(Br)ccc1N(C)C(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)cc1
InChIInChI=1S/C23H23BrN4O3/c1-4-15-13-16(24)5-10-21(15)28(3)23(30)27-17-6-8-18(9-7-17)31-19-11-12-26-20(14-19)22(29)25-2/h5-14H,4H2,1-3H3,(H,25,29)(H,27,30)
InChIKeyFZQBEKMKXLZNON-UHFFFAOYSA-N
MW483.37 g/mol
LogP5.23
Rot. Bonds6

About 4-[4-[[(4-bromo-2-ethylphenyl)-methylcarbamoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[[(4-bromo-2-ethylphenyl)-methylcarbamoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 144552419) has the molecular formula C23H23BrN4O3 and a molecular weight of 483.37 g/mol. Its IUPAC name is 4-[4-[[(4-bromo-2-ethylphenyl)-methylcarbamoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[(4-bromo-2-ethylphenyl)-methylcarbamoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID144552419
Molecular FormulaC23H23BrN4O3
Molecular Weight483.37 g/mol
Exact Mass482.10
IUPAC Name4-[4-[[(4-bromo-2-ethylphenyl)-methylcarbamoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCCc1cc(Br)ccc1N(C)C(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)cc1
InChIInChI=1S/C23H23BrN4O3/c1-4-15-13-16(24)5-10-21(15)28(3)23(30)27-17-6-8-18(9-7-17)31-19-11-12-26-20(14-19)22(29)25-2/h5-14H,4H2,1-3H3,(H,25,29)(H,27,30)
InChIKeyFZQBEKMKXLZNON-UHFFFAOYSA-N
XLogP5.23
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.37
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965
4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
4-[4-(2H-benzotriazol-5-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 10318982
N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
4-[4-[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743717

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(4-bromo-2-ethylphenyl)-methylcarbamoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[[(4-bromo-2-ethylphenyl)-methylcarbamoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide (CID 144552419) is 4-[4-[[(4-bromo-2-ethylphenyl)-methylcarbamoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[(4-bromo-2-ethylphenyl)-methylcarbamoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[(4-bromo-2-ethylphenyl)-methylcarbamoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide is CCc1cc(Br)ccc1N(C)C(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)cc1.
What is the InChIKey of 4-[4-[[(4-bromo-2-ethylphenyl)-methylcarbamoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is FZQBEKMKXLZNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN4O3/c1-4-15-13-16(24)5-10-21(15)28(3)23(30)27-17-6-8-18(9-7-17)31-19-11-12-26-20(14-19)22(29)25-2/h5-14H,4H2,1-3H3,(H,25,29)(H,27,30).
What are the key properties of 4-[4-[[(4-bromo-2-ethylphenyl)-methylcarbamoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[[(4-bromo-2-ethylphenyl)-methylcarbamoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 483.37 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(4-bromo-2-ethylphenyl)-methylcarbamoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 144552419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).