N-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide

C21H20ClN3O2 — CID 109234037

IUPACN-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide
SMILESCCOc1ccc(Nc2cncc(C(=O)NCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-2-27-20-9-7-18(8-10-20)25-19-11-16(13-23-14-19)21(26)24-12-15-3-5-17(22)6-4-15/h3-11,13-14,25H,2,12H2,1H3,(H,24,26)
InChIKeyHACJPQNPPFNYIU-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.81
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide (PubChem CID 109234037) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide
PubChem CID109234037
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide
SMILESCCOc1ccc(Nc2cncc(C(=O)NCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-2-27-20-9-7-18(8-10-20)25-19-11-16(13-23-14-19)21(26)24-12-15-3-5-17(22)6-4-15/h3-11,13-14,25H,2,12H2,1H3,(H,24,26)
InChIKeyHACJPQNPPFNYIU-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

5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109234047
N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109157012
N-(5-chloro-2-methylphenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109244724
N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109348808
5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245293
5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234433
5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234453
ethyl 4-[[5-(pyridin-4-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109235609
N-(2,4-difluorophenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109245490
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109245025
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide (CID 109234037) is N-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide is CCOc1ccc(Nc2cncc(C(=O)NCc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide?
The InChIKey is HACJPQNPPFNYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-2-27-20-9-7-18(8-10-20)25-19-11-16(13-23-14-19)21(26)24-12-15-3-5-17(22)6-4-15/h3-11,13-14,25H,2,12H2,1H3,(H,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-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-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109234037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).