N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide

C23H22ClF3N4O — CID 10226645

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F
InChIInChI=1S/C23H22ClF3N4O/c1-14-15(7-10-20(28)31-14)12-29-21(32)11-17-18(24)8-9-19(22(17)25)30-13-23(26,27)16-5-3-2-4-6-16/h2-10,30H,11-13H2,1H3,(H2,28,31)(H,29,32)
InChIKeyPTZXMCCDZKPNFR-UHFFFAOYSA-N
MW462.90 g/mol
LogP4.83
Rot. Bonds8

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide (PubChem CID 10226645) has the molecular formula C23H22ClF3N4O and a molecular weight of 462.90 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide
PubChem CID10226645
Molecular FormulaC23H22ClF3N4O
Molecular Weight462.90 g/mol
Exact Mass462.14
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F
InChIInChI=1S/C23H22ClF3N4O/c1-14-15(7-10-20(28)31-14)12-29-21(32)11-17-18(24)8-9-19(22(17)25)30-13-23(26,27)16-5-3-2-4-6-16/h2-10,30H,11-13H2,1H3,(H2,28,31)(H,29,32)
InChIKeyPTZXMCCDZKPNFR-UHFFFAOYSA-N
XLogP4.83
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.90
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide 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 N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide (CID 10226645) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide is Cc1nc(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide?
The InChIKey is PTZXMCCDZKPNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N4O/c1-14-15(7-10-20(28)31-14)12-29-21(32)11-17-18(24)8-9-19(22(17)25)30-13-23(26,27)16-5-3-2-4-6-16/h2-10,30H,11-13H2,1H3,(H2,28,31)(H,29,32).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide has a molecular weight of 462.90 g/mol, XLogP of 4.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 10226645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).