N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide

C22H22FN3O2 — CID 109212249

IUPACN-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNc2ccnc(C(=O)NCCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C22H22FN3O2/c1-28-20-8-4-17(5-9-20)15-26-19-11-13-24-21(14-19)22(27)25-12-10-16-2-6-18(23)7-3-16/h2-9,11,13-14H,10,12,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyVXKXBXCCNYMNKO-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.81
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109212249) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
PubChem CID109212249
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNc2ccnc(C(=O)NCCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C22H22FN3O2/c1-28-20-8-4-17(5-9-20)15-26-19-11-13-24-21(14-19)22(27)25-12-10-16-2-6-18(23)7-3-16/h2-9,11,13-14H,10,12,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyVXKXBXCCNYMNKO-UHFFFAOYSA-N
XLogP3.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]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

4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214178
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099
N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209636
N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206237
6-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109348269
N-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210055
4-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202891
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211857
4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214542
N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109212162

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide (CID 109212249) is N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide is COc1ccc(CNc2ccnc(C(=O)NCCc3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is VXKXBXCCNYMNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-28-20-8-4-17(5-9-20)15-26-19-11-13-24-21(14-19)22(27)25-12-10-16-2-6-18(23)7-3-16/h2-9,11,13-14H,10,12,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109212249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).