4-[4-[[(2,4-dihydroxybenzoyl)amino]carbamoyl]phenoxy]-N-ethylpyridine-2-carboxamide

C22H20N4O6 — CID 143062051

IUPAC4-[4-[[(2,4-dihydroxybenzoyl)amino]carbamoyl]phenoxy]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(Oc2ccc(C(=O)NNC(=O)c3ccc(O)cc3O)cc2)ccn1
InChIInChI=1S/C22H20N4O6/c1-2-23-22(31)18-12-16(9-10-24-18)32-15-6-3-13(4-7-15)20(29)25-26-21(30)17-8-5-14(27)11-19(17)28/h3-12,27-28H,2H2,1H3,(H,23,31)(H,25,29)(H,26,30)
InChIKeyNCKDHKURJTYCQM-UHFFFAOYSA-N
MW436.42 g/mol
LogP2.11
Rot. Bonds6

About 4-[4-[[(2,4-dihydroxybenzoyl)amino]carbamoyl]phenoxy]-N-ethylpyridine-2-carboxamide

4-[4-[[(2,4-dihydroxybenzoyl)amino]carbamoyl]phenoxy]-N-ethylpyridine-2-carboxamide (PubChem CID 143062051) has the molecular formula C22H20N4O6 and a molecular weight of 436.42 g/mol. Its IUPAC name is 4-[4-[[(2,4-dihydroxybenzoyl)amino]carbamoyl]phenoxy]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[(2,4-dihydroxybenzoyl)amino]carbamoyl]phenoxy]-N-ethylpyridine-2-carboxamide
PubChem CID143062051
Molecular FormulaC22H20N4O6
Molecular Weight436.42 g/mol
Exact Mass436.14
IUPAC Name4-[4-[[(2,4-dihydroxybenzoyl)amino]carbamoyl]phenoxy]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(Oc2ccc(C(=O)NNC(=O)c3ccc(O)cc3O)cc2)ccn1
InChIInChI=1S/C22H20N4O6/c1-2-23-22(31)18-12-16(9-10-24-18)32-15-6-3-13(4-7-15)20(29)25-26-21(30)17-8-5-14(27)11-19(17)28/h3-12,27-28H,2H2,1H3,(H,23,31)(H,25,29)(H,26,30)
InChIKeyNCKDHKURJTYCQM-UHFFFAOYSA-N
XLogP2.11
TPSA149.88 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 52.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide
CID 89129780
4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 143062062
N-ethyl-4-[(2-methylsulfanyl-1,3-benzothiazol-5-yl)oxy]pyridine-2-carboxamide;2-methylsulfanyl-1,3-benzothiazol-5-ol
CID 143791071
4-[4-[[(3,4-dimethylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11212255
4-(2-bromo-4-methoxyphenoxy)-N-ethylpyridine-2-carboxamide
CID 104707708
3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid
CID 81436631
4-ethoxy-N'-(4-ethoxy-2-hydroxybenzoyl)-2-hydroxybenzohydrazide
CID 20557201
4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58858348
4-[4-[(4-hydroxyphenyl)diazenyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 165438064
4-(5-bromo-2-methylphenoxy)-N-ethylpyridine-2-carboxamide
CID 107284547
4-(4-hydroxyphenoxy)pyridine-2-carboxylic acid
CID 69017649
methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate
CID 59987507

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(2,4-dihydroxybenzoyl)amino]carbamoyl]phenoxy]-N-ethylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[[(2,4-dihydroxybenzoyl)amino]carbamoyl]phenoxy]-N-ethylpyridine-2-carboxamide (CID 143062051) is 4-[4-[[(2,4-dihydroxybenzoyl)amino]carbamoyl]phenoxy]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[(2,4-dihydroxybenzoyl)amino]carbamoyl]phenoxy]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[(2,4-dihydroxybenzoyl)amino]carbamoyl]phenoxy]-N-ethylpyridine-2-carboxamide is CCNC(=O)c1cc(Oc2ccc(C(=O)NNC(=O)c3ccc(O)cc3O)cc2)ccn1.
What is the InChIKey of 4-[4-[[(2,4-dihydroxybenzoyl)amino]carbamoyl]phenoxy]-N-ethylpyridine-2-carboxamide?
The InChIKey is NCKDHKURJTYCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O6/c1-2-23-22(31)18-12-16(9-10-24-18)32-15-6-3-13(4-7-15)20(29)25-26-21(30)17-8-5-14(27)11-19(17)28/h3-12,27-28H,2H2,1H3,(H,23,31)(H,25,29)(H,26,30).
What are the key properties of 4-[4-[[(2,4-dihydroxybenzoyl)amino]carbamoyl]phenoxy]-N-ethylpyridine-2-carboxamide?
4-[4-[[(2,4-dihydroxybenzoyl)amino]carbamoyl]phenoxy]-N-ethylpyridine-2-carboxamide has a molecular weight of 436.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(2,4-dihydroxybenzoyl)amino]carbamoyl]phenoxy]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 143062051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).