N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylphenyl)methylamino]-5-methylbenzamide

C22H21ClN4O — CID 59089759

IUPACN-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylphenyl)methylamino]-5-methylbenzamide
SMILES[H]/N=C(\C)c1ccc(CNc2ccc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C22H21ClN4O/c1-14-3-9-20(25-12-16-4-6-17(7-5-16)15(2)24)19(11-14)22(28)27-21-10-8-18(23)13-26-21/h3-11,13,24-25H,12H2,1-2H3,(H,26,27,28)/b24-15+
InChIKeyCDWVPKGWTAHREM-BUVRLJJBSA-N
MW392.89 g/mol
LogP5.30
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylphenyl)methylamino]-5-methylbenzamide

N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylphenyl)methylamino]-5-methylbenzamide (PubChem CID 59089759) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylphenyl)methylamino]-5-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylphenyl)methylamino]-5-methylbenzamide
PubChem CID59089759
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylphenyl)methylamino]-5-methylbenzamide
SMILES[H]/N=C(\C)c1ccc(CNc2ccc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C22H21ClN4O/c1-14-3-9-20(25-12-16-4-6-17(7-5-16)15(2)24)19(11-14)22(28)27-21-10-8-18(23)13-26-21/h3-11,13,24-25H,12H2,1-2H3,(H,26,27,28)/b24-15+
InChIKeyCDWVPKGWTAHREM-BUVRLJJBSA-N
XLogP5.30
TPSA77.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-(ethylamino)-5-methylbenzamide
CID 62508806
N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide
CID 142082926
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylbenzamide
CID 18728123
N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methylamino]benzamide
CID 18728185
N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;methane
CID 161034320
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide
CID 148756430
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728187
5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylbenzoyl)amino]-3-hydroxybenzamide
CID 59089683
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
CID 22596418
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-(methylamino)benzamide
CID 140603963
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
N-(5-chloro-2-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 28831587

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylphenyl)methylamino]-5-methylbenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylphenyl)methylamino]-5-methylbenzamide (CID 59089759) is N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylphenyl)methylamino]-5-methylbenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylphenyl)methylamino]-5-methylbenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylphenyl)methylamino]-5-methylbenzamide is [H]/N=C(\C)c1ccc(CNc2ccc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylphenyl)methylamino]-5-methylbenzamide?
The InChIKey is CDWVPKGWTAHREM-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H21ClN4O/c1-14-3-9-20(25-12-16-4-6-17(7-5-16)15(2)24)19(11-14)22(28)27-21-10-8-18(23)13-26-21/h3-11,13,24-25H,12H2,1-2H3,(H,26,27,28)/b24-15+.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylphenyl)methylamino]-5-methylbenzamide?
N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylphenyl)methylamino]-5-methylbenzamide has a molecular weight of 392.89 g/mol, XLogP of 5.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoylphenyl)methylamino]-5-methylbenzamide is sourced from PubChem (CID 59089759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).