N-(5-chloro-2-pyridinyl)-6-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-2-hydroxy-3-methylbenzamide

C23H22ClN5O3 — CID 139340680

IUPACN-(5-chloro-2-pyridinyl)-6-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-2-hydroxy-3-methylbenzamide
SMILES[H]/N=C(\C)N(C)c1ccc(C(=O)Nc2ccc(C)c(O)c2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C23H22ClN5O3/c1-13-4-10-18(20(21(13)30)23(32)28-19-11-7-16(24)12-26-19)27-22(31)15-5-8-17(9-6-15)29(3)14(2)25/h4-12,25,30H,1-3H3,(H,27,31)(H,26,28,32)/b25-14+
InChIKeyCMUMUPVXCZLXLL-AFUMVMLFSA-N
MW451.91 g/mol
LogP4.69
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-6-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-2-hydroxy-3-methylbenzamide

N-(5-chloro-2-pyridinyl)-6-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-2-hydroxy-3-methylbenzamide (PubChem CID 139340680) has the molecular formula C23H22ClN5O3 and a molecular weight of 451.91 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-6-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-6-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-2-hydroxy-3-methylbenzamide
PubChem CID139340680
Molecular FormulaC23H22ClN5O3
Molecular Weight451.91 g/mol
Exact Mass451.14
IUPAC NameN-(5-chloro-2-pyridinyl)-6-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-2-hydroxy-3-methylbenzamide
SMILES[H]/N=C(\C)N(C)c1ccc(C(=O)Nc2ccc(C)c(O)c2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C23H22ClN5O3/c1-13-4-10-18(20(21(13)30)23(32)28-19-11-7-16(24)12-26-19)27-22(31)15-5-8-17(9-6-15)29(3)14(2)25/h4-12,25,30H,1-3H3,(H,27,31)(H,26,28,32)/b25-14+
InChIKeyCMUMUPVXCZLXLL-AFUMVMLFSA-N
XLogP4.69
TPSA118.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 54.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylbenzamide
CID 18728123
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(N-ethyl-N-methylcarbamimidoyl)benzoyl]amino]benzamide
CID 44565603
2-[[4-[acetyl(methyl)amino]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;piperidine
CID 142250788
3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 22596412
N-(5-chloro-2-pyridinyl)-4-hydroxy-5-methyl-2-[[4-(methylamino)benzoyl]amino]benzamide
CID 153409491
N-(5-chloro-1-methyl-2H-pyridin-2-yl)-2-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-5-methylbenzamide
CID 139455246
5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylbenzoyl)amino]-3-hydroxybenzamide
CID 59089683
N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide
CID 63210683
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728187
N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide
CID 59089747
methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate
CID 21021794

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-6-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-6-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-2-hydroxy-3-methylbenzamide (CID 139340680) is N-(5-chloro-2-pyridinyl)-6-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-6-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-6-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-2-hydroxy-3-methylbenzamide is [H]/N=C(\C)N(C)c1ccc(C(=O)Nc2ccc(C)c(O)c2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-6-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-2-hydroxy-3-methylbenzamide?
The InChIKey is CMUMUPVXCZLXLL-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H22ClN5O3/c1-13-4-10-18(20(21(13)30)23(32)28-19-11-7-16(24)12-26-19)27-22(31)15-5-8-17(9-6-15)29(3)14(2)25/h4-12,25,30H,1-3H3,(H,27,31)(H,26,28,32)/b25-14+.
What are the key properties of N-(5-chloro-2-pyridinyl)-6-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-2-hydroxy-3-methylbenzamide?
N-(5-chloro-2-pyridinyl)-6-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-2-hydroxy-3-methylbenzamide has a molecular weight of 451.91 g/mol, XLogP of 4.69, 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)-6-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 139340680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).