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

C21H19ClN4O3 — CID 153409491

IUPACN-(5-chloro-2-pyridinyl)-4-hydroxy-5-methyl-2-[[4-(methylamino)benzoyl]amino]benzamide
SMILESCNc1ccc(C(=O)Nc2cc(O)c(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C21H19ClN4O3/c1-12-9-16(21(29)26-19-8-5-14(22)11-24-19)17(10-18(12)27)25-20(28)13-3-6-15(23-2)7-4-13/h3-11,23,27H,1-2H3,(H,25,28)(H,24,26,29)
InChIKeyXMOOHTNNNXXHHY-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.30
Rot. Bonds5

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

N-(5-chloro-2-pyridinyl)-4-hydroxy-5-methyl-2-[[4-(methylamino)benzoyl]amino]benzamide (PubChem CID 153409491) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-hydroxy-5-methyl-2-[[4-(methylamino)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-hydroxy-5-methyl-2-[[4-(methylamino)benzoyl]amino]benzamide
PubChem CID153409491
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC NameN-(5-chloro-2-pyridinyl)-4-hydroxy-5-methyl-2-[[4-(methylamino)benzoyl]amino]benzamide
SMILESCNc1ccc(C(=O)Nc2cc(O)c(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C21H19ClN4O3/c1-12-9-16(21(29)26-19-8-5-14(22)11-24-19)17(10-18(12)27)25-20(28)13-3-6-15(23-2)7-4-13/h3-11,23,27H,1-2H3,(H,25,28)(H,24,26,29)
InChIKeyXMOOHTNNNXXHHY-UHFFFAOYSA-N
XLogP4.30
TPSA103.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-5-(methylamino)pyridine-2-carboxamide
CID 104640066
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
CID 22596418
N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide
CID 2988082
N-(5-chloro-2-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 28831587
1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 143758587
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
N-(5-chloro-2-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 55042675
2-amino-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide
CID 153409482
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]benzamide
CID 18727842
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methyl-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide
CID 89063265

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-hydroxy-5-methyl-2-[[4-(methylamino)benzoyl]amino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-hydroxy-5-methyl-2-[[4-(methylamino)benzoyl]amino]benzamide (CID 153409491) is N-(5-chloro-2-pyridinyl)-4-hydroxy-5-methyl-2-[[4-(methylamino)benzoyl]amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-hydroxy-5-methyl-2-[[4-(methylamino)benzoyl]amino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-hydroxy-5-methyl-2-[[4-(methylamino)benzoyl]amino]benzamide is CNc1ccc(C(=O)Nc2cc(O)c(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-hydroxy-5-methyl-2-[[4-(methylamino)benzoyl]amino]benzamide?
The InChIKey is XMOOHTNNNXXHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-12-9-16(21(29)26-19-8-5-14(22)11-24-19)17(10-18(12)27)25-20(28)13-3-6-15(23-2)7-4-13/h3-11,23,27H,1-2H3,(H,25,28)(H,24,26,29).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-hydroxy-5-methyl-2-[[4-(methylamino)benzoyl]amino]benzamide?
N-(5-chloro-2-pyridinyl)-4-hydroxy-5-methyl-2-[[4-(methylamino)benzoyl]amino]benzamide has a molecular weight of 410.86 g/mol, XLogP of 4.30, 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)-4-hydroxy-5-methyl-2-[[4-(methylamino)benzoyl]amino]benzamide is sourced from PubChem (CID 153409491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).