1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone

C19H22F2N4O — CID 72550271

IUPAC1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(C)nc(Nc3cc(C(F)F)ccn3)c2)CC1
InChIInChI=1S/C19H22F2N4O/c1-12-9-16(14-4-7-25(8-5-14)13(2)26)11-18(23-12)24-17-10-15(19(20)21)3-6-22-17/h3,6,9-11,14,19H,4-5,7-8H2,1-2H3,(H,22,23,24)
InChIKeyHCVFSTLHWREZOH-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.19
Rot. Bonds4

About 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone

1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 72550271) has the molecular formula C19H22F2N4O and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone
PubChem CID72550271
Molecular FormulaC19H22F2N4O
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(C)nc(Nc3cc(C(F)F)ccn3)c2)CC1
InChIInChI=1S/C19H22F2N4O/c1-12-9-16(14-4-7-25(8-5-14)13(2)26)11-18(23-12)24-17-10-15(19(20)21)3-6-22-17/h3,6,9-11,14,19H,4-5,7-8H2,1-2H3,(H,22,23,24)
InChIKeyHCVFSTLHWREZOH-UHFFFAOYSA-N
XLogP4.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine
CID 90067480
1-[3-[2-chloro-6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]azetidin-1-yl]-3,3-dimethylbutan-1-one
CID 134293641
1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone
CID 118929980
N-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine
CID 134293581
6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine
CID 134293567
1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 171147530
1-[4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexyl]ethanone
CID 90380585
1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone
CID 134601157
1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821987
1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone
CID 110101819
1-[4-[2-(3-azabicyclo[3.2.1]octan-3-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 155001360
N-[4-(difluoromethyl)-2-pyridinyl]-6-ethynyl-4-methylpyridin-2-amine
CID 118272246

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone (CID 72550271) is 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cc(C)nc(Nc3cc(C(F)F)ccn3)c2)CC1.
What is the InChIKey of 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is HCVFSTLHWREZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O/c1-12-9-16(14-4-7-25(8-5-14)13(2)26)11-18(23-12)24-17-10-15(19(20)21)3-6-22-17/h3,6,9-11,14,19H,4-5,7-8H2,1-2H3,(H,22,23,24).
What are the key properties of 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone?
1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 360.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 72550271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).