N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide

C20H17F3N6O2 — CID 118560580

IUPACN-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
SMILESCc1cc(CC(=O)Nc2ccn(Cc3ccc(C#N)cn3)n2)cnc1OCC(F)(F)F
InChIInChI=1S/C20H17F3N6O2/c1-13-6-15(10-26-19(13)31-12-20(21,22)23)7-18(30)27-17-4-5-29(28-17)11-16-3-2-14(8-24)9-25-16/h2-6,9-10H,7,11-12H2,1H3,(H,27,28,30)
InChIKeyUAGOBCDDMFAHNY-UHFFFAOYSA-N
MW430.39 g/mol
LogP3.02
Rot. Bonds7

About N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide

N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide (PubChem CID 118560580) has the molecular formula C20H17F3N6O2 and a molecular weight of 430.39 g/mol. Its IUPAC name is N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
PubChem CID118560580
Molecular FormulaC20H17F3N6O2
Molecular Weight430.39 g/mol
Exact Mass430.14
IUPAC NameN-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
SMILESCc1cc(CC(=O)Nc2ccn(Cc3ccc(C#N)cn3)n2)cnc1OCC(F)(F)F
InChIInChI=1S/C20H17F3N6O2/c1-13-6-15(10-26-19(13)31-12-20(21,22)23)7-18(30)27-17-4-5-29(28-17)11-16-3-2-14(8-24)9-25-16/h2-6,9-10H,7,11-12H2,1H3,(H,27,28,30)
InChIKeyUAGOBCDDMFAHNY-UHFFFAOYSA-N
XLogP3.02
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The IUPAC name of N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide (CID 118560580) is N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The canonical SMILES for N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide is Cc1cc(CC(=O)Nc2ccn(Cc3ccc(C#N)cn3)n2)cnc1OCC(F)(F)F.
What is the InChIKey of N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The InChIKey is UAGOBCDDMFAHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O2/c1-13-6-15(10-26-19(13)31-12-20(21,22)23)7-18(30)27-17-4-5-29(28-17)11-16-3-2-14(8-24)9-25-16/h2-6,9-10H,7,11-12H2,1H3,(H,27,28,30).
What are the key properties of N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide has a molecular weight of 430.39 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide is sourced from PubChem (CID 118560580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).