2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide

C21H18ClF4N5O — CID 10115966

IUPAC2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide
SMILESCc1ccnc(CNC(=O)Cc2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2F)c1F
InChIInChI=1S/C21H18ClF4N5O/c1-12-5-7-27-15(18(12)23)10-29-17(32)8-13-14(22)9-30-20(19(13)24)31-11-21(25,26)16-4-2-3-6-28-16/h2-7,9H,8,10-11H2,1H3,(H,29,32)(H,30,31)
InChIKeyWADWQIAXMFMIKJ-UHFFFAOYSA-N
MW467.85 g/mol
LogP4.17
Rot. Bonds8

About 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide

2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide (PubChem CID 10115966) has the molecular formula C21H18ClF4N5O and a molecular weight of 467.85 g/mol. Its IUPAC name is 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide
PubChem CID10115966
Molecular FormulaC21H18ClF4N5O
Molecular Weight467.85 g/mol
Exact Mass467.11
IUPAC Name2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide
SMILESCc1ccnc(CNC(=O)Cc2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2F)c1F
InChIInChI=1S/C21H18ClF4N5O/c1-12-5-7-27-15(18(12)23)10-29-17(32)8-13-14(22)9-30-20(19(13)24)31-11-21(25,26)16-4-2-3-6-28-16/h2-7,9H,8,10-11H2,1H3,(H,29,32)(H,30,31)
InChIKeyWADWQIAXMFMIKJ-UHFFFAOYSA-N
XLogP4.17
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.85
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]-N'-[5-(Trifluoromethyl)pyridin-2-Yl]ethane-1,2-Diamine
CID 2725966
Rac-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(2-ethylpiperidin-1-yl)methanone
CID 23725698
(5-Chloro-6-((6-methylpyridin-3-yl)amino)pyridin-3-yl)-((2R)-2-ethylpiperidin-1-yl)methanone
CID 23725699
(S)-5-chloro-6-(4-(1-(4-chloro-2-fluorobenzyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)-N-ethylnicotinamide
CID 11569938
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)isobutyramide
CID 24857903
2''-(2-Chlorophenylamino)-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Amide
CID 46901544
(3R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 67222084
Pyrazine-Pyridine Biheteroaryl 62
CID 5330393
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11812296
N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(6-chloro-3-(2-(5-chloropyridin-2-yl)-2,2-difluoroethylamino)-2-fluorophenyl)acetamide
CID 24779756
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[[2-(5-chloro-1-oxidopyridin-1-ium-2-yl)-2,2-difluoroethyl]amino]-2-fluorophenyl]acetamide
CID 44443566
1-(5-(4-Chlorophenyl)-6-(2-chloropyridin-4-yl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576685

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide (CID 10115966) is 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide is Cc1ccnc(CNC(=O)Cc2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2F)c1F.
What is the InChIKey of 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide?
The InChIKey is WADWQIAXMFMIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF4N5O/c1-12-5-7-27-15(18(12)23)10-29-17(32)8-13-14(22)9-30-20(19(13)24)31-11-21(25,26)16-4-2-3-6-28-16/h2-7,9H,8,10-11H2,1H3,(H,29,32)(H,30,31).
What are the key properties of 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide?
2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide has a molecular weight of 467.85 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 10115966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).