N-[4-[(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide

C21H20FN5OS — CID 166918745

IUPACN-[4-[(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide
SMILESCSc1cc(C2CC2)cc(Nc2cc(NC(C)=O)ncc2-c2ccc(F)cn2)n1
InChIInChI=1S/C21H20FN5OS/c1-12(28)25-19-9-18(16(11-24-19)17-6-5-15(22)10-23-17)26-20-7-14(13-3-4-13)8-21(27-20)29-2/h5-11,13H,3-4H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyZCNZXQDCTUPYRY-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.98
Rot. Bonds6

About N-[4-[(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide

N-[4-[(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide (PubChem CID 166918745) has the molecular formula C21H20FN5OS and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[4-[(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide
PubChem CID166918745
Molecular FormulaC21H20FN5OS
Molecular Weight409.49 g/mol
Exact Mass409.14
IUPAC NameN-[4-[(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide
SMILESCSc1cc(C2CC2)cc(Nc2cc(NC(C)=O)ncc2-c2ccc(F)cn2)n1
InChIInChI=1S/C21H20FN5OS/c1-12(28)25-19-9-18(16(11-24-19)17-6-5-15(22)10-23-17)26-20-7-14(13-3-4-13)8-21(27-20)29-2/h5-11,13H,3-4H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyZCNZXQDCTUPYRY-UHFFFAOYSA-N
XLogP4.98
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide
CID 175990690
N-[5-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-4-[(4-methyl-6-methylsulfanyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
CID 166918953
N-[5-(5-fluoro-2-pyridinyl)-4-[[4-(2-methoxyethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide
CID 166918750
5-acetamido-3-(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid
CID 175507451
N-[5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-4-[[6-methylsulfonyl-4-(2,2,6,6-tetramethyloxan-4-yl)-2-pyridinyl]amino]-2-pyridinyl]acetamide
CID 166919062
N-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 175991041
N-[5-(5-cyano-2-pyridinyl)-4-[[6-methyl-2-(2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
CID 170731032
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(difluoromethoxy)-2-pyridinyl]-2-pyridinyl]acetamide
CID 175990883
N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide
CID 166492549
N-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 170730825
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)-2-pyridinyl]acetamide
CID 170730270
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide
CID 175991044

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide (CID 166918745) is N-[4-[(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide is CSc1cc(C2CC2)cc(Nc2cc(NC(C)=O)ncc2-c2ccc(F)cn2)n1.
What is the InChIKey of N-[4-[(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide?
The InChIKey is ZCNZXQDCTUPYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5OS/c1-12(28)25-19-9-18(16(11-24-19)17-6-5-15(22)10-23-17)26-20-7-14(13-3-4-13)8-21(27-20)29-2/h5-11,13H,3-4H2,1-2H3,(H2,24,25,26,27,28).
What are the key properties of N-[4-[(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide?
N-[4-[(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide has a molecular weight of 409.49 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 166918745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).