N-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide

C21H20ClN3O2 — CID 109189878

IUPACN-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide
SMILESCCOc1ccc(Nc2ccc(C(=O)NCc3ccccc3Cl)nc2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-2-27-18-10-7-16(8-11-18)25-17-9-12-20(23-14-17)21(26)24-13-15-5-3-4-6-19(15)22/h3-12,14,25H,2,13H2,1H3,(H,24,26)
InChIKeyQLSBNOYQBUJZIA-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.81
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide

N-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide (PubChem CID 109189878) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide
PubChem CID109189878
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide
SMILESCCOc1ccc(Nc2ccc(C(=O)NCc3ccccc3Cl)nc2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-2-27-18-10-7-16(8-11-18)25-17-9-12-20(23-14-17)21(26)24-13-15-5-3-4-6-19(15)22/h3-12,14,25H,2,13H2,1H3,(H,24,26)
InChIKeyQLSBNOYQBUJZIA-UHFFFAOYSA-N
XLogP4.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109305909
N-[(2-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109156873
N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 109179268
5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109189885
5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181136
N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109190227
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 7639773
N-(2,6-dimethylphenyl)-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109198225
ethyl 4-[[6-[(2-fluorophenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109189443
5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189418
5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190232
4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211207

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide (CID 109189878) is N-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide is CCOc1ccc(Nc2ccc(C(=O)NCc3ccccc3Cl)nc2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide?
The InChIKey is QLSBNOYQBUJZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-2-27-18-10-7-16(8-11-18)25-17-9-12-20(23-14-17)21(26)24-13-15-5-3-4-6-19(15)22/h3-12,14,25H,2,13H2,1H3,(H,24,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide?
N-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109189878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).