4-(aminomethyl)-N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C22H19ClF4N4O — CID 146371211

IUPAC4-(aminomethyl)-N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2cc(CN)cc(-c3ccc(F)cc3C(F)(F)F)n2)ncc1Cl
InChIInChI=1S/C22H19ClF4N4O/c1-11-5-18(29-10-17(11)23)12(2)30-21(32)20-7-13(9-28)6-19(31-20)15-4-3-14(24)8-16(15)22(25,26)27/h3-8,10,12H,9,28H2,1-2H3,(H,30,32)
InChIKeyICNBESRIDYMUBE-UHFFFAOYSA-N
MW466.87 g/mol
LogP5.21
Rot. Bonds5

About 4-(aminomethyl)-N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

4-(aminomethyl)-N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 146371211) has the molecular formula C22H19ClF4N4O and a molecular weight of 466.87 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID146371211
Molecular FormulaC22H19ClF4N4O
Molecular Weight466.87 g/mol
Exact Mass466.12
IUPAC Name4-(aminomethyl)-N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2cc(CN)cc(-c3ccc(F)cc3C(F)(F)F)n2)ncc1Cl
InChIInChI=1S/C22H19ClF4N4O/c1-11-5-18(29-10-17(11)23)12(2)30-21(32)20-7-13(9-28)6-19(31-20)15-4-3-14(24)8-16(15)22(25,26)27/h3-8,10,12H,9,28H2,1-2H3,(H,30,32)
InChIKeyICNBESRIDYMUBE-UHFFFAOYSA-N
XLogP5.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.87
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]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

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 146371211) is 4-(aminomethyl)-N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide is Cc1cc(C(C)NC(=O)c2cc(CN)cc(-c3ccc(F)cc3C(F)(F)F)n2)ncc1Cl.
What is the InChIKey of 4-(aminomethyl)-N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is ICNBESRIDYMUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF4N4O/c1-11-5-18(29-10-17(11)23)12(2)30-21(32)20-7-13(9-28)6-19(31-20)15-4-3-14(24)8-16(15)22(25,26)27/h3-8,10,12H,9,28H2,1-2H3,(H,30,32).
What are the key properties of 4-(aminomethyl)-N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
4-(aminomethyl)-N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 466.87 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 146371211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).