N-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]acetamide

C24H25F3N6O — CID 119098943

IUPACN-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2ccc(-c3cc(C)cc(Nc4cc(C(F)(F)F)ccn4)n3)cn2)C1
InChIInChI=1S/C24H25F3N6O/c1-15-10-20(31-22(11-15)32-21-12-18(7-8-28-21)24(25,26)27)17-5-6-23(29-13-17)33-9-3-4-19(14-33)30-16(2)34/h5-8,10-13,19H,3-4,9,14H2,1-2H3,(H,30,34)(H,28,31,32)
InChIKeyBOOGENSHTVILIS-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.71
Rot. Bonds5

About N-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]acetamide

N-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]acetamide (PubChem CID 119098943) has the molecular formula C24H25F3N6O and a molecular weight of 470.50 g/mol. Its IUPAC name is N-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]acetamide
PubChem CID119098943
Molecular FormulaC24H25F3N6O
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC NameN-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2ccc(-c3cc(C)cc(Nc4cc(C(F)(F)F)ccn4)n3)cn2)C1
InChIInChI=1S/C24H25F3N6O/c1-15-10-20(31-22(11-15)32-21-12-18(7-8-28-21)24(25,26)27)17-5-6-23(29-13-17)33-9-3-4-19(14-33)30-16(2)34/h5-8,10-13,19H,3-4,9,14H2,1-2H3,(H,30,34)(H,28,31,32)
InChIKeyBOOGENSHTVILIS-UHFFFAOYSA-N
XLogP4.71
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]acetamide (CID 119098943) is N-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(c2ccc(-c3cc(C)cc(Nc4cc(C(F)(F)F)ccn4)n3)cn2)C1.
What is the InChIKey of N-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]acetamide?
The InChIKey is BOOGENSHTVILIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O/c1-15-10-20(31-22(11-15)32-21-12-18(7-8-28-21)24(25,26)27)17-5-6-23(29-13-17)33-9-3-4-19(14-33)30-16(2)34/h5-8,10-13,19H,3-4,9,14H2,1-2H3,(H,30,34)(H,28,31,32).
What are the key properties of N-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]acetamide?
N-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]acetamide has a molecular weight of 470.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 119098943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).