2-[4-[[4-(3-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxypyridine-3-carboxamide

C21H27FN6O2 — CID 146623218

IUPAC2-[4-[[4-(3-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CCC(Nc2nccc(N3CCCC(F)C3)n2)CC1
InChIInChI=1S/C21H27FN6O2/c22-14-3-2-12-28(13-14)18-9-11-25-21(27-18)26-15-5-7-16(8-6-15)30-20-17(19(23)29)4-1-10-24-20/h1,4,9-11,14-16H,2-3,5-8,12-13H2,(H2,23,29)(H,25,26,27)
InChIKeySYENKYLPZDVIDC-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.71
Rot. Bonds6

About 2-[4-[[4-(3-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxypyridine-3-carboxamide

2-[4-[[4-(3-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxypyridine-3-carboxamide (PubChem CID 146623218) has the molecular formula C21H27FN6O2 and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-[4-[[4-(3-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[[4-(3-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxypyridine-3-carboxamide
PubChem CID146623218
Molecular FormulaC21H27FN6O2
Molecular Weight414.49 g/mol
Exact Mass414.22
IUPAC Name2-[4-[[4-(3-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CCC(Nc2nccc(N3CCCC(F)C3)n2)CC1
InChIInChI=1S/C21H27FN6O2/c22-14-3-2-12-28(13-14)18-9-11-25-21(27-18)26-15-5-7-16(8-6-15)30-20-17(19(23)29)4-1-10-24-20/h1,4,9-11,14-16H,2-3,5-8,12-13H2,(H2,23,29)(H,25,26,27)
InChIKeySYENKYLPZDVIDC-UHFFFAOYSA-N
XLogP2.71
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[4-(3-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxypyridine-3-carboxamide with MolForge

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Related Compounds

2-[6-[[4-(3,3-difluoropyrrolidin-1-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 146586030
4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine
CID 76709122
N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-2,3-dihydroindole-1-carboxamide
CID 130247548
2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide
CID 146622130
4-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-bicyclo[4.2.0]octanyl)pyrimidin-2-amine
CID 90160188
1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol
CID 134707232
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124585246
1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50958722
2-[4-[(3-amino-5-bromobenzoyl)amino]cyclohexyl]oxypyridine-3-carboxamide
CID 161335103
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738
2-pyrrolidin-3-yloxypyridine-3-carboxamide
CID 62347808

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(3-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[4-[[4-(3-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxypyridine-3-carboxamide (CID 146623218) is 2-[4-[[4-(3-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[[4-(3-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[4-[[4-(3-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxypyridine-3-carboxamide is NC(=O)c1cccnc1OC1CCC(Nc2nccc(N3CCCC(F)C3)n2)CC1.
What is the InChIKey of 2-[4-[[4-(3-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxypyridine-3-carboxamide?
The InChIKey is SYENKYLPZDVIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN6O2/c22-14-3-2-12-28(13-14)18-9-11-25-21(27-18)26-15-5-7-16(8-6-15)30-20-17(19(23)29)4-1-10-24-20/h1,4,9-11,14-16H,2-3,5-8,12-13H2,(H2,23,29)(H,25,26,27).
What are the key properties of 2-[4-[[4-(3-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxypyridine-3-carboxamide?
2-[4-[[4-(3-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxypyridine-3-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(3-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxypyridine-3-carboxamide is sourced from PubChem (CID 146623218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).