N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide

C22H23N3O2 — CID 109156390

IUPACN-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
SMILESCCOc1ccc(Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)cc1
InChIInChI=1S/C22H23N3O2/c1-3-27-20-12-10-19(11-13-20)24-21-14-9-18(15-23-21)22(26)25(2)16-17-7-5-4-6-8-17/h4-15H,3,16H2,1-2H3,(H,23,24)
InChIKeyMYTHQZNGDXASOC-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.50
Rot. Bonds7

About N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide

N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide (PubChem CID 109156390) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
PubChem CID109156390
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
SMILESCCOc1ccc(Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)cc1
InChIInChI=1S/C22H23N3O2/c1-3-27-20-12-10-19(11-13-20)24-21-14-9-18(15-23-21)22(26)25(2)16-17-7-5-4-6-8-17/h4-15H,3,16H2,1-2H3,(H,23,24)
InChIKeyMYTHQZNGDXASOC-UHFFFAOYSA-N
XLogP4.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide
CID 109156408
6-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109162941
N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156396
N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide
CID 109156379
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109156385
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide
CID 55370905
N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide
CID 109151561
6-[4-(dimethylamino)anilino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164189
N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 1441278
N-[(2-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109156873
N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109281113
6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164185

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide (CID 109156390) is N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide is CCOc1ccc(Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)cc1.
What is the InChIKey of N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide?
The InChIKey is MYTHQZNGDXASOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-27-20-12-10-19(11-13-20)24-21-14-9-18(15-23-21)22(26)25(2)16-17-7-5-4-6-8-17/h4-15H,3,16H2,1-2H3,(H,23,24).
What are the key properties of N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide?
N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109156390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).