N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methyl-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide

C22H20ClN5O3 — CID 89063265

IUPACN-(5-chloro-2-pyridinyl)-3-hydroxy-5-methyl-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide
SMILESC/N=C(\N)c1ccc(C(=O)Nc2c(O)cc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C22H20ClN5O3/c1-12-9-16(22(31)27-18-8-7-15(23)11-26-18)19(17(29)10-12)28-21(30)14-5-3-13(4-6-14)20(24)25-2/h3-11,29H,1-2H3,(H2,24,25)(H,28,30)(H,26,27,31)
InChIKeyFQKLZWOOABGXBH-UHFFFAOYSA-N
MW437.89 g/mol
LogP3.59
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methyl-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide

N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methyl-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide (PubChem CID 89063265) has the molecular formula C22H20ClN5O3 and a molecular weight of 437.89 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methyl-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-hydroxy-5-methyl-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide
PubChem CID89063265
Molecular FormulaC22H20ClN5O3
Molecular Weight437.89 g/mol
Exact Mass437.13
IUPAC NameN-(5-chloro-2-pyridinyl)-3-hydroxy-5-methyl-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide
SMILESC/N=C(\N)c1ccc(C(=O)Nc2c(O)cc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C22H20ClN5O3/c1-12-9-16(22(31)27-18-8-7-15(23)11-26-18)19(17(29)10-12)28-21(30)14-5-3-13(4-6-14)20(24)25-2/h3-11,29H,1-2H3,(H2,24,25)(H,28,30)(H,26,27,31)
InChIKeyFQKLZWOOABGXBH-UHFFFAOYSA-N
XLogP3.59
TPSA129.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.89
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide
CID 18727880
2-amino-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide
CID 153409482
5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylbenzoyl)amino]-3-hydroxybenzamide
CID 59089683
2-[[4-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]-3,5-dimethyl-N-(5-methyl-2-pyridinyl)benzamide
CID 142051419
N-(5-chloro-2-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 28831587
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]benzamide
CID 18727842
N-(5-chloro-2-pyridinyl)-4-hydroxy-5-methyl-2-[[4-(methylamino)benzoyl]amino]benzamide
CID 153409491
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
N-(5-chloro-2-pyridinyl)-5-(hydroxymethyl)-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(hydroxymethyl)-N-pyridin-2-ylbenzamide
CID 160503015
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
CID 22596418
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylbenzamide
CID 18728123
N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide
CID 103604547

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methyl-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methyl-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide (CID 89063265) is N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methyl-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methyl-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methyl-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide is C/N=C(\N)c1ccc(C(=O)Nc2c(O)cc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methyl-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide?
The InChIKey is FQKLZWOOABGXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O3/c1-12-9-16(22(31)27-18-8-7-15(23)11-26-18)19(17(29)10-12)28-21(30)14-5-3-13(4-6-14)20(24)25-2/h3-11,29H,1-2H3,(H2,24,25)(H,28,30)(H,26,27,31).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methyl-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide?
N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methyl-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide has a molecular weight of 437.89 g/mol, XLogP of 3.59, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methyl-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 89063265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).