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

C21H19N3O4 — CID 87834569

IUPAC4-[3-[hydroxy-(3-methylphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(C(=O)N(O)c3cccc(C)c3)c2)ccn1
InChIInChI=1S/C21H19N3O4/c1-14-5-3-7-16(11-14)24(27)21(26)15-6-4-8-17(12-15)28-18-9-10-23-19(13-18)20(25)22-2/h3-13,27H,1-2H3,(H,22,25)
InChIKeyGXUPOBQJIHDFKQ-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.58
Rot. Bonds5

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

4-[3-[hydroxy-(3-methylphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 87834569) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 4-[3-[hydroxy-(3-methylphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[hydroxy-(3-methylphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID87834569
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name4-[3-[hydroxy-(3-methylphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(C(=O)N(O)c3cccc(C)c3)c2)ccn1
InChIInChI=1S/C21H19N3O4/c1-14-5-3-7-16(11-14)24(27)21(26)15-6-4-8-17(12-15)28-18-9-10-23-19(13-18)20(25)22-2/h3-13,27H,1-2H3,(H,22,25)
InChIKeyGXUPOBQJIHDFKQ-UHFFFAOYSA-N
XLogP3.58
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[5-[2-(dimethylamino)ethoxy-(3-methylphenyl)carbamoyl]-1H-pyrrol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide
CID 87676296
4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58858348
N-methyl-4-[3-[[[3-(trifluoromethoxy)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
CID 11248488
4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051896
4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide
CID 23614583
4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051717
4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11429828
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040
N-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
CID 11213278
N-methyl-4-[3-[2-[[3-(trifluoromethoxy)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 25050892
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid
CID 107672806

Frequently Asked Questions

What is the IUPAC name of 4-[3-[hydroxy-(3-methylphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-[hydroxy-(3-methylphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide (CID 87834569) is 4-[3-[hydroxy-(3-methylphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[hydroxy-(3-methylphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-[hydroxy-(3-methylphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc(C(=O)N(O)c3cccc(C)c3)c2)ccn1.
What is the InChIKey of 4-[3-[hydroxy-(3-methylphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is GXUPOBQJIHDFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-14-5-3-7-16(11-14)24(27)21(26)15-6-4-8-17(12-15)28-18-9-10-23-19(13-18)20(25)22-2/h3-13,27H,1-2H3,(H,22,25).
What are the key properties of 4-[3-[hydroxy-(3-methylphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[3-[hydroxy-(3-methylphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[hydroxy-(3-methylphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 87834569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).