N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide

C24H25ClN4O4 — CID 55993721

IUPACN-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide
SMILESCCOc1ccc(Nc2ncccc2C(=O)Nc2ccc(C(=O)NCCOC)c(Cl)c2)cc1
InChIInChI=1S/C24H25ClN4O4/c1-3-33-18-9-6-16(7-10-18)28-22-20(5-4-12-26-22)24(31)29-17-8-11-19(21(25)15-17)23(30)27-13-14-32-2/h4-12,15H,3,13-14H2,1-2H3,(H,26,28)(H,27,30)(H,29,31)
InChIKeyDJRVTYJYDOLOSD-UHFFFAOYSA-N
MW468.94 g/mol
LogP4.51
Rot. Bonds10

About N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide

N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide (PubChem CID 55993721) has the molecular formula C24H25ClN4O4 and a molecular weight of 468.94 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide
PubChem CID55993721
Molecular FormulaC24H25ClN4O4
Molecular Weight468.94 g/mol
Exact Mass468.16
IUPAC NameN-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide
SMILESCCOc1ccc(Nc2ncccc2C(=O)Nc2ccc(C(=O)NCCOC)c(Cl)c2)cc1
InChIInChI=1S/C24H25ClN4O4/c1-3-33-18-9-6-16(7-10-18)28-22-20(5-4-12-26-22)24(31)29-17-8-11-19(21(25)15-17)23(30)27-13-14-32-2/h4-12,15H,3,13-14H2,1-2H3,(H,26,28)(H,27,30)(H,29,31)
InChIKeyDJRVTYJYDOLOSD-UHFFFAOYSA-N
XLogP4.51
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dichlorophenyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 23632726
2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 112809803
N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride
CID 119405364
2-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 12812828
2-chloro-4-[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 60532900
2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide
CID 27783158
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide
CID 55878270
2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 55877380
N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide
CID 119474998
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632728
4-N-(4-ethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045187
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55877770

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide (CID 55993721) is N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide is CCOc1ccc(Nc2ncccc2C(=O)Nc2ccc(C(=O)NCCOC)c(Cl)c2)cc1.
What is the InChIKey of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide?
The InChIKey is DJRVTYJYDOLOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O4/c1-3-33-18-9-6-16(7-10-18)28-22-20(5-4-12-26-22)24(31)29-17-8-11-19(21(25)15-17)23(30)27-13-14-32-2/h4-12,15H,3,13-14H2,1-2H3,(H,26,28)(H,27,30)(H,29,31).
What are the key properties of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide?
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide has a molecular weight of 468.94 g/mol, XLogP of 4.51, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 55993721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).