N-[5-[1-[(3R)-3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide

C20H26F3N5O — CID 146287982

IUPACN-[5-[1-[(3R)-3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C(C)N2CCC[C@H](Cc3cc(C)nc(C(F)(F)F)c3)C2)[nH]n1
InChIInChI=1S/C20H26F3N5O/c1-12-7-16(9-18(24-12)20(21,22)23)8-15-5-4-6-28(11-15)13(2)17-10-19(27-26-17)25-14(3)29/h7,9-10,13,15H,4-6,8,11H2,1-3H3,(H2,25,26,27,29)/t13?,15-/m1/s1
InChIKeyDCWUFVXIWZBDKM-AWKYBWMHSA-N
MW409.46 g/mol
LogP4.11
Rot. Bonds5

About N-[5-[1-[(3R)-3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide

N-[5-[1-[(3R)-3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide (PubChem CID 146287982) has the molecular formula C20H26F3N5O and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[5-[1-[(3R)-3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[1-[(3R)-3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide
PubChem CID146287982
Molecular FormulaC20H26F3N5O
Molecular Weight409.46 g/mol
Exact Mass409.21
IUPAC NameN-[5-[1-[(3R)-3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C(C)N2CCC[C@H](Cc3cc(C)nc(C(F)(F)F)c3)C2)[nH]n1
InChIInChI=1S/C20H26F3N5O/c1-12-7-16(9-18(24-12)20(21,22)23)8-15-5-4-6-28(11-15)13(2)17-10-19(27-26-17)25-14(3)29/h7,9-10,13,15H,4-6,8,11H2,1-3H3,(H2,25,26,27,29)/t13?,15-/m1/s1
InChIKeyDCWUFVXIWZBDKM-AWKYBWMHSA-N
XLogP4.11
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(3R)-3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[5-[1-[(3R)-3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide (CID 146287982) is N-[5-[1-[(3R)-3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[5-[1-[(3R)-3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[5-[1-[(3R)-3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide is CC(=O)Nc1cc(C(C)N2CCC[C@H](Cc3cc(C)nc(C(F)(F)F)c3)C2)[nH]n1.
What is the InChIKey of N-[5-[1-[(3R)-3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide?
The InChIKey is DCWUFVXIWZBDKM-AWKYBWMHSA-N. The full InChI is InChI=1S/C20H26F3N5O/c1-12-7-16(9-18(24-12)20(21,22)23)8-15-5-4-6-28(11-15)13(2)17-10-19(27-26-17)25-14(3)29/h7,9-10,13,15H,4-6,8,11H2,1-3H3,(H2,25,26,27,29)/t13?,15-/m1/s1.
What are the key properties of N-[5-[1-[(3R)-3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide?
N-[5-[1-[(3R)-3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide has a molecular weight of 409.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(3R)-3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 146287982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).