3-methyl-1-[methyl-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione

C17H19F3N4O2 — CID 177168201

IUPAC3-methyl-1-[methyl-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(N(C)c2ccc(C(F)(F)F)c(N3CCCCC3)n2)C1=O
InChIInChI=1S/C17H19F3N4O2/c1-11-10-14(25)24(16(11)26)22(2)13-7-6-12(17(18,19)20)15(21-13)23-8-4-3-5-9-23/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyZKAJBSNBUIYNFJ-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.76
Rot. Bonds3

About 3-methyl-1-[methyl-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione

3-methyl-1-[methyl-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione (PubChem CID 177168201) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 3-methyl-1-[methyl-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[methyl-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
PubChem CID177168201
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name3-methyl-1-[methyl-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(N(C)c2ccc(C(F)(F)F)c(N3CCCCC3)n2)C1=O
InChIInChI=1S/C17H19F3N4O2/c1-11-10-14(25)24(16(11)26)22(2)13-7-6-12(17(18,19)20)15(21-13)23-8-4-3-5-9-23/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyZKAJBSNBUIYNFJ-UHFFFAOYSA-N
XLogP2.76
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione
CID 177168064
1-methyl-1-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 177168012
3-methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177168127
1-[6-(3,3-difluoropiperidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1-methylhydrazine
CID 177168089
6-piperidin-1-yl-5-(trifluoromethyl)pyridin-2-amine
CID 177168205
2,6-dimethyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 170172200
N-cyclopropyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
CID 15698227
2-(azetidin-1-yl)-5-methyl-3-(trifluoromethyl)pyridine
CID 130243856
2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 11482301
2-chloro-6-piperidin-1-yl-3-(trifluoromethyl)pyridine
CID 58181344
6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine;sulfur dioxide
CID 159199103
6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 159199104

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-[methyl-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione (CID 177168201) is 3-methyl-1-[methyl-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-[methyl-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-[methyl-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione is CC1=CC(=O)N(N(C)c2ccc(C(F)(F)F)c(N3CCCCC3)n2)C1=O.
What is the InChIKey of 3-methyl-1-[methyl-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione?
The InChIKey is ZKAJBSNBUIYNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-11-10-14(25)24(16(11)26)22(2)13-7-6-12(17(18,19)20)15(21-13)23-8-4-3-5-9-23/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 3-methyl-1-[methyl-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione?
3-methyl-1-[methyl-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione has a molecular weight of 368.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl-[6-piperidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione is sourced from PubChem (CID 177168201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).