5-[1-[methyl-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]-N-phenylpyridine-2-carboxamide

C28H30F3N5O2 — CID 71238490

IUPAC5-[1-[methyl-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]-N-phenylpyridine-2-carboxamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2N(C)C(=O)C(C)c2ccc(C(=O)Nc3ccccc3)nc2)CC1
InChIInChI=1S/C28H30F3N5O2/c1-18-13-15-36(16-14-18)25-23(11-12-24(34-25)28(29,30)31)35(3)27(38)19(2)20-9-10-22(32-17-20)26(37)33-21-7-5-4-6-8-21/h4-12,17-19H,13-16H2,1-3H3,(H,33,37)
InChIKeyUOEDXABQZWUQNV-UHFFFAOYSA-N
MW525.58 g/mol
LogP5.75
Rot. Bonds6

About 5-[1-[methyl-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]-N-phenylpyridine-2-carboxamide

5-[1-[methyl-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]-N-phenylpyridine-2-carboxamide (PubChem CID 71238490) has the molecular formula C28H30F3N5O2 and a molecular weight of 525.58 g/mol. Its IUPAC name is 5-[1-[methyl-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-[methyl-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]-N-phenylpyridine-2-carboxamide
PubChem CID71238490
Molecular FormulaC28H30F3N5O2
Molecular Weight525.58 g/mol
Exact Mass525.24
IUPAC Name5-[1-[methyl-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]-N-phenylpyridine-2-carboxamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2N(C)C(=O)C(C)c2ccc(C(=O)Nc3ccccc3)nc2)CC1
InChIInChI=1S/C28H30F3N5O2/c1-18-13-15-36(16-14-18)25-23(11-12-24(34-25)28(29,30)31)35(3)27(38)19(2)20-9-10-22(32-17-20)26(37)33-21-7-5-4-6-8-21/h4-12,17-19H,13-16H2,1-3H3,(H,33,37)
InChIKeyUOEDXABQZWUQNV-UHFFFAOYSA-N
XLogP5.75
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.58
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[methyl-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]-N-phenylpyridine-2-carboxamide?
The IUPAC name of 5-[1-[methyl-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]-N-phenylpyridine-2-carboxamide (CID 71238490) is 5-[1-[methyl-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-[1-[methyl-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-[1-[methyl-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]-N-phenylpyridine-2-carboxamide is CC1CCN(c2nc(C(F)(F)F)ccc2N(C)C(=O)C(C)c2ccc(C(=O)Nc3ccccc3)nc2)CC1.
What is the InChIKey of 5-[1-[methyl-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]-N-phenylpyridine-2-carboxamide?
The InChIKey is UOEDXABQZWUQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N5O2/c1-18-13-15-36(16-14-18)25-23(11-12-24(34-25)28(29,30)31)35(3)27(38)19(2)20-9-10-22(32-17-20)26(37)33-21-7-5-4-6-8-21/h4-12,17-19H,13-16H2,1-3H3,(H,33,37).
What are the key properties of 5-[1-[methyl-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]-N-phenylpyridine-2-carboxamide?
5-[1-[methyl-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]-N-phenylpyridine-2-carboxamide has a molecular weight of 525.58 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[methyl-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 71238490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).