N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide

C22H22ClN3O2 — CID 109218487

IUPACN-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1Nc1ccnc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C22H22ClN3O2/c1-15-6-7-21(28-2)19(12-15)26-18-9-11-24-20(14-18)22(27)25-10-8-16-4-3-5-17(23)13-16/h3-7,9,11-14H,8,10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyAWPTVQWOWMFEQF-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.77
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide

N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide (PubChem CID 109218487) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
PubChem CID109218487
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1Nc1ccnc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C22H22ClN3O2/c1-15-6-7-21(28-2)19(12-15)26-18-9-11-24-20(14-18)22(27)25-10-8-16-4-3-5-17(23)13-16/h3-7,9,11-14H,8,10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyAWPTVQWOWMFEQF-UHFFFAOYSA-N
XLogP4.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-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-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109218485
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109213989
N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109241150
4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221419
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methylanilino)pyridine-2-carboxamide
CID 109215403
N-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109211667
N-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109193668
4-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109218513
N-(2-methoxy-5-methylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213702
4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087816
N-(2,4-dimethylphenyl)-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109219739
N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide
CID 109219162

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide (CID 109218487) is N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide is COc1ccc(C)cc1Nc1ccnc(C(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide?
The InChIKey is AWPTVQWOWMFEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-15-6-7-21(28-2)19(12-15)26-18-9-11-24-20(14-18)22(27)25-10-8-16-4-3-5-17(23)13-16/h3-7,9,11-14H,8,10H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109218487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).