1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide

C21H17ClN4O5 — CID 143758587

IUPAC1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)NO)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C21H17ClN4O5/c1-31-15-7-8-17(16(10-15)21(29)25-18-9-6-14(22)11-23-18)24-19(27)12-2-4-13(5-3-12)20(28)26-30/h2-11,30H,1H3,(H,24,27)(H,26,28)(H,23,25,29)
InChIKeyRGEVUCDHYKIBST-UHFFFAOYSA-N
MW440.84 g/mol
LogP3.37
Rot. Bonds6

About 1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide

1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide (PubChem CID 143758587) has the molecular formula C21H17ClN4O5 and a molecular weight of 440.84 g/mol. Its IUPAC name is 1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide
PubChem CID143758587
Molecular FormulaC21H17ClN4O5
Molecular Weight440.84 g/mol
Exact Mass440.09
IUPAC Name1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)NO)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C21H17ClN4O5/c1-31-15-7-8-17(16(10-15)21(29)25-18-9-6-14(22)11-23-18)24-19(27)12-2-4-13(5-3-12)20(28)26-30/h2-11,30H,1H3,(H,24,27)(H,26,28)(H,23,25,29)
InChIKeyRGEVUCDHYKIBST-UHFFFAOYSA-N
XLogP3.37
TPSA129.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.84
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
CID 22596384
N-(5-bromo-2-pyridinyl)-2-[(4-isocyanobenzoyl)amino]-5-methoxybenzamide
CID 18728045
N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[4-[N-(2-methoxyacetyl)-S-methylsulfonimidoyl]benzoyl]amino]benzamide
CID 25268457
N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide
CID 165367029
N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[(2E)-penta-2,4-dienoyl]amino]benzamide
CID 142083271
2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid
CID 115410990
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
CID 22596418
methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 90266337
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide;(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 16718249
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-[(dimethylhydrazinylidene)methyl]benzoyl]amino]phenoxy]acetate
CID 66831458
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]benzamide
CID 18727842

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide (CID 143758587) is 1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide is COc1ccc(NC(=O)c2ccc(C(=O)NO)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of 1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide?
The InChIKey is RGEVUCDHYKIBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O5/c1-31-15-7-8-17(16(10-15)21(29)25-18-9-6-14(22)11-23-18)24-19(27)12-2-4-13(5-3-12)20(28)26-30/h2-11,30H,1H3,(H,24,27)(H,26,28)(H,23,25,29).
What are the key properties of 1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide?
1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide has a molecular weight of 440.84 g/mol, XLogP of 3.37, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 143758587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).