N-(5-chloro-1-methyl-2H-pyridin-2-yl)-2-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-5-methylbenzamide

C24H26ClN5O2 — CID 139455246

IUPACN-(5-chloro-1-methyl-2H-pyridin-2-yl)-2-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-5-methylbenzamide
SMILES[H]/N=C(\C)N(C)c1ccc(C(=O)Nc2ccc(C)cc2C(=O)NC2C=CC(Cl)=CN2C)cc1
InChIInChI=1S/C24H26ClN5O2/c1-15-5-11-21(20(13-15)24(32)28-22-12-8-18(25)14-29(22)3)27-23(31)17-6-9-19(10-7-17)30(4)16(2)26/h5-14,22,26H,1-4H3,(H,27,31)(H,28,32)/b26-16+
InChIKeyGPBKMZOXWDVPLX-WGOQTCKBSA-N
MW451.96 g/mol
LogP4.32
Rot. Bonds5

About N-(5-chloro-1-methyl-2H-pyridin-2-yl)-2-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-5-methylbenzamide

N-(5-chloro-1-methyl-2H-pyridin-2-yl)-2-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-5-methylbenzamide (PubChem CID 139455246) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is N-(5-chloro-1-methyl-2H-pyridin-2-yl)-2-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-5-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-1-methyl-2H-pyridin-2-yl)-2-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-5-methylbenzamide
PubChem CID139455246
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC NameN-(5-chloro-1-methyl-2H-pyridin-2-yl)-2-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-5-methylbenzamide
SMILES[H]/N=C(\C)N(C)c1ccc(C(=O)Nc2ccc(C)cc2C(=O)NC2C=CC(Cl)=CN2C)cc1
InChIInChI=1S/C24H26ClN5O2/c1-15-5-11-21(20(13-15)24(32)28-22-12-8-18(25)14-29(22)3)27-23(31)17-6-9-19(10-7-17)30(4)16(2)26/h5-14,22,26H,1-4H3,(H,27,31)(H,28,32)/b26-16+
InChIKeyGPBKMZOXWDVPLX-WGOQTCKBSA-N
XLogP4.32
TPSA88.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
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CID 139340680
N-(4-chlorophenyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728034
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728187
4-(N,N-dimethylcarbamimidoyl)-N-(2-methoxy-4-methylphenyl)benzamide
CID 89063363
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylbenzamide
CID 90920317
5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 59020840
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(N-ethyl-N-methylcarbamimidoyl)benzoyl]amino]benzamide
CID 44565603
2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 70883763
N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]-5-methylbenzamide
CID 18728047
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
CID 22596418
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-1-methyl-2H-pyridin-2-yl)-2-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-5-methylbenzamide?
The IUPAC name of N-(5-chloro-1-methyl-2H-pyridin-2-yl)-2-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-5-methylbenzamide (CID 139455246) is N-(5-chloro-1-methyl-2H-pyridin-2-yl)-2-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-5-methylbenzamide.
What is the SMILES notation for N-(5-chloro-1-methyl-2H-pyridin-2-yl)-2-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-5-methylbenzamide?
The canonical SMILES for N-(5-chloro-1-methyl-2H-pyridin-2-yl)-2-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-5-methylbenzamide is [H]/N=C(\C)N(C)c1ccc(C(=O)Nc2ccc(C)cc2C(=O)NC2C=CC(Cl)=CN2C)cc1.
What is the InChIKey of N-(5-chloro-1-methyl-2H-pyridin-2-yl)-2-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-5-methylbenzamide?
The InChIKey is GPBKMZOXWDVPLX-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c1-15-5-11-21(20(13-15)24(32)28-22-12-8-18(25)14-29(22)3)27-23(31)17-6-9-19(10-7-17)30(4)16(2)26/h5-14,22,26H,1-4H3,(H,27,31)(H,28,32)/b26-16+.
What are the key properties of N-(5-chloro-1-methyl-2H-pyridin-2-yl)-2-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-5-methylbenzamide?
N-(5-chloro-1-methyl-2H-pyridin-2-yl)-2-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-5-methylbenzamide has a molecular weight of 451.96 g/mol, XLogP of 4.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-methyl-2H-pyridin-2-yl)-2-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-5-methylbenzamide is sourced from PubChem (CID 139455246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).