N-hydroxy-2-(2-methoxyethylcarbamoylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxamide

C21H21N5O4 — CID 89034356

IUPACN-hydroxy-2-(2-methoxyethylcarbamoylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxamide
SMILESCOCCNC(=O)Nc1cc(C(=O)NO)cc(-c2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C21H21N5O4/c1-30-10-9-23-21(28)25-19-12-17(20(27)26-29)11-18(24-19)15-6-4-14(5-7-15)16-3-2-8-22-13-16/h2-8,11-13,29H,9-10H2,1H3,(H,26,27)(H2,23,24,25,28)
InChIKeyYDXNPJIHYRLUKX-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.70
Rot. Bonds7

About N-hydroxy-2-(2-methoxyethylcarbamoylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxamide

N-hydroxy-2-(2-methoxyethylcarbamoylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxamide (PubChem CID 89034356) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-hydroxy-2-(2-methoxyethylcarbamoylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(2-methoxyethylcarbamoylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxamide
PubChem CID89034356
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC NameN-hydroxy-2-(2-methoxyethylcarbamoylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxamide
SMILESCOCCNC(=O)Nc1cc(C(=O)NO)cc(-c2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C21H21N5O4/c1-30-10-9-23-21(28)25-19-12-17(20(27)26-29)11-18(24-19)15-6-4-14(5-7-15)16-3-2-8-22-13-16/h2-8,11-13,29H,9-10H2,1H3,(H,26,27)(H2,23,24,25,28)
InChIKeyYDXNPJIHYRLUKX-UHFFFAOYSA-N
XLogP2.70
TPSA125.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-methoxyethoxycarbonylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxylate
CID 70853198
methyl 2-(ethylcarbamoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxylate
CID 68756538
N-hydroxy-2-(2-methylpropanoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide
CID 91500550
N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 89034600
N-(2-methoxyethyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110647547
6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82170109
N-hydroxy-2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide
CID 89034642
1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea
CID 72712074
1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea
CID 24819782
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide
CID 164624876
4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 59672655

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(2-methoxyethylcarbamoylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of N-hydroxy-2-(2-methoxyethylcarbamoylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxamide (CID 89034356) is N-hydroxy-2-(2-methoxyethylcarbamoylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-(2-methoxyethylcarbamoylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-2-(2-methoxyethylcarbamoylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxamide is COCCNC(=O)Nc1cc(C(=O)NO)cc(-c2ccc(-c3cccnc3)cc2)n1.
What is the InChIKey of N-hydroxy-2-(2-methoxyethylcarbamoylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxamide?
The InChIKey is YDXNPJIHYRLUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-30-10-9-23-21(28)25-19-12-17(20(27)26-29)11-18(24-19)15-6-4-14(5-7-15)16-3-2-8-22-13-16/h2-8,11-13,29H,9-10H2,1H3,(H,26,27)(H2,23,24,25,28).
What are the key properties of N-hydroxy-2-(2-methoxyethylcarbamoylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxamide?
N-hydroxy-2-(2-methoxyethylcarbamoylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 2.70, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(2-methoxyethylcarbamoylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 89034356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).