2,2,2-trifluoro-1-[4-[[6-methoxy-3-(methylamino)-2-pyridinyl]amino]piperidin-1-yl]ethanone

C14H19F3N4O2 — CID 59159343

IUPAC2,2,2-trifluoro-1-[4-[[6-methoxy-3-(methylamino)-2-pyridinyl]amino]piperidin-1-yl]ethanone
SMILESCNc1ccc(OC)nc1NC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N4O2/c1-18-10-3-4-11(23-2)20-12(10)19-9-5-7-21(8-6-9)13(22)14(15,16)17/h3-4,9,18H,5-8H2,1-2H3,(H,19,20)
InChIKeyMMXQBBDHQUOBHL-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.10
Rot. Bonds4

About 2,2,2-trifluoro-1-[4-[[6-methoxy-3-(methylamino)-2-pyridinyl]amino]piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-[[6-methoxy-3-(methylamino)-2-pyridinyl]amino]piperidin-1-yl]ethanone (PubChem CID 59159343) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[[6-methoxy-3-(methylamino)-2-pyridinyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[[6-methoxy-3-(methylamino)-2-pyridinyl]amino]piperidin-1-yl]ethanone
PubChem CID59159343
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name2,2,2-trifluoro-1-[4-[[6-methoxy-3-(methylamino)-2-pyridinyl]amino]piperidin-1-yl]ethanone
SMILESCNc1ccc(OC)nc1NC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N4O2/c1-18-10-3-4-11(23-2)20-12(10)19-9-5-7-21(8-6-9)13(22)14(15,16)17/h3-4,9,18H,5-8H2,1-2H3,(H,19,20)
InChIKeyMMXQBBDHQUOBHL-UHFFFAOYSA-N
XLogP2.10
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoro-1-[4-[[6-methoxy-3-(methylamino)-2-pyridinyl]amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

6-Methoxy-2-methylamino-3-aminopyridine dihydrochloride
CID 5743759
1-(6-Methoxypyridin-2-yl)piperazine
CID 12200470
6-methoxy-2-N-methylpyridine-2,3-diamine
CID 5743760
(R)-1-(1-Cyclopropylethyl)-3-[6-methoxy-2-(trifluoromethyl)-pyridin-3-ylamino]pyrazin-2(1H)-one
CID 45268771
1-[(3R)-3-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 59174367
1-[(3S)-3-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 59174557
1-[3-[[5-Fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 59174602
1-Piperazinepropanamide, N-(2-aminophenyl)-4-(6-methoxy-2-pyridinyl)-, dihydrochloride
CID 11971552
1-[4-(3-Amino-6-methoxypyridin-2-yl)piperazin-1-yl]ethan-1-one
CID 47003077
1-(6-Methoxypyridin-2-yl)-5-methyl-1,2,4-triazinan-3-one
CID 10513218
N-[2-Methoxy-6-(4-methylpiperazin-1-yl)pyridin-3-yl]prop-2-enamide
CID 137931039
5-[1-[(2Z)-cyclooct-2-en-1-yl]piperidin-4-yl]-7-methoxy-1H-pyrido[2,3-b][1,4]diazepine-2,4-dione
CID 59159326

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[[6-methoxy-3-(methylamino)-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-[[6-methoxy-3-(methylamino)-2-pyridinyl]amino]piperidin-1-yl]ethanone (CID 59159343) is 2,2,2-trifluoro-1-[4-[[6-methoxy-3-(methylamino)-2-pyridinyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[[6-methoxy-3-(methylamino)-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[[6-methoxy-3-(methylamino)-2-pyridinyl]amino]piperidin-1-yl]ethanone is CNc1ccc(OC)nc1NC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[[6-methoxy-3-(methylamino)-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The InChIKey is MMXQBBDHQUOBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-18-10-3-4-11(23-2)20-12(10)19-9-5-7-21(8-6-9)13(22)14(15,16)17/h3-4,9,18H,5-8H2,1-2H3,(H,19,20).
What are the key properties of 2,2,2-trifluoro-1-[4-[[6-methoxy-3-(methylamino)-2-pyridinyl]amino]piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-[[6-methoxy-3-(methylamino)-2-pyridinyl]amino]piperidin-1-yl]ethanone has a molecular weight of 332.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[[6-methoxy-3-(methylamino)-2-pyridinyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 59159343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).