4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide

C22H20N4O5 — CID 143062062

IUPAC4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(C(=O)NNC(=O)c3ccc(C)c(O)c3)cc2)ccn1
InChIInChI=1S/C22H20N4O5/c1-13-3-4-15(11-19(13)27)21(29)26-25-20(28)14-5-7-16(8-6-14)31-17-9-10-24-18(12-17)22(30)23-2/h3-12,27H,1-2H3,(H,23,30)(H,25,28)(H,26,29)
InChIKeyWWHIEILQZMYRHQ-UHFFFAOYSA-N
MW420.43 g/mol
LogP2.32
Rot. Bonds5

About 4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 143062062) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is 4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID143062062
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC Name4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(C(=O)NNC(=O)c3ccc(C)c(O)c3)cc2)ccn1
InChIInChI=1S/C22H20N4O5/c1-13-3-4-15(11-19(13)27)21(29)26-25-20(28)14-5-7-16(8-6-14)31-17-9-10-24-18(12-17)22(30)23-2/h3-12,27H,1-2H3,(H,23,30)(H,25,28)(H,26,29)
InChIKeyWWHIEILQZMYRHQ-UHFFFAOYSA-N
XLogP2.32
TPSA129.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-[[(3,4-dimethylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11212255
4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58858348
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
4-[4-[(4-hydroxyphenyl)diazenyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 165438064
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
N-methyl-4-[3-[[[3-(trifluoromethoxy)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
CID 11248488
4-[4-[[(2,4-dihydroxybenzoyl)amino]carbamoyl]phenoxy]-N-ethylpyridine-2-carboxamide
CID 143062051
3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid
CID 107672806
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide
CID 23614583

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide (CID 143062062) is 4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(C(=O)NNC(=O)c3ccc(C)c(O)c3)cc2)ccn1.
What is the InChIKey of 4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is WWHIEILQZMYRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5/c1-13-3-4-15(11-19(13)27)21(29)26-25-20(28)14-5-7-16(8-6-14)31-17-9-10-24-18(12-17)22(30)23-2/h3-12,27H,1-2H3,(H,23,30)(H,25,28)(H,26,29).
What are the key properties of 4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 143062062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).