N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine

C21H26F2N4O — CID 90067480

IUPACN-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine
SMILESCCc1cc(C2CCN(C3COC3)CC2)cc(Nc2cc(C(F)F)ccn2)n1
InChIInChI=1S/C21H26F2N4O/c1-2-17-9-16(14-4-7-27(8-5-14)18-12-28-13-18)11-20(25-17)26-19-10-15(21(22)23)3-6-24-19/h3,6,9-11,14,18,21H,2,4-5,7-8,12-13H2,1H3,(H,24,25,26)
InChIKeyUTFISSNFARFPER-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.30
Rot. Bonds6

About N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine

N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine (PubChem CID 90067480) has the molecular formula C21H26F2N4O and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine
PubChem CID90067480
Molecular FormulaC21H26F2N4O
Molecular Weight388.46 g/mol
Exact Mass388.21
IUPAC NameN-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine
SMILESCCc1cc(C2CCN(C3COC3)CC2)cc(Nc2cc(C(F)F)ccn2)n1
InChIInChI=1S/C21H26F2N4O/c1-2-17-9-16(14-4-7-27(8-5-14)18-12-28-13-18)11-20(25-17)26-19-10-15(21(22)23)3-6-24-19/h3,6,9-11,14,18,21H,2,4-5,7-8,12-13H2,1H3,(H,24,25,26)
InChIKeyUTFISSNFARFPER-UHFFFAOYSA-N
XLogP4.30
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine with MolForge

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Related Compounds

N-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine
CID 134293581
1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone
CID 72550271
4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90067501
2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine
CID 90067642
2-[[6-cyclobutyloxy-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 118725473
6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine
CID 134293567
2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 90067590
2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]amino]pyridine-4-carbonitrile
CID 122368046
4-(difluoromethyl)-N-[6-[(2R)-2-methylpyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]-1,2,3,4-tetrahydropyridin-2-yl]pyridin-2-amine
CID 134279968
N-[4-(1,1-difluoroethyl)-2-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)azetidin-3-yl]pyridin-2-amine
CID 163555024
6-(2-azabicyclo[3.1.0]hexan-2-yl)-N-(4-methyl-2-pyridinyl)-4-(oxan-4-yl)pyridin-2-amine
CID 90015475
N-[4-(difluoromethyl)-2-pyridinyl]-6-ethynyl-4-methylpyridin-2-amine
CID 118272246

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine?
The IUPAC name of N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine (CID 90067480) is N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine.
What is the SMILES notation for N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine?
The canonical SMILES for N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine is CCc1cc(C2CCN(C3COC3)CC2)cc(Nc2cc(C(F)F)ccn2)n1.
What is the InChIKey of N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine?
The InChIKey is UTFISSNFARFPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O/c1-2-17-9-16(14-4-7-27(8-5-14)18-12-28-13-18)11-20(25-17)26-19-10-15(21(22)23)3-6-24-19/h3,6,9-11,14,18,21H,2,4-5,7-8,12-13H2,1H3,(H,24,25,26).
What are the key properties of N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine?
N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine has a molecular weight of 388.46 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 90067480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).