2-(dimethylamino)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]pyrimidine-5-carboxamide

C20H26FN5O2 — CID 46965070

IUPAC2-(dimethylamino)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]pyrimidine-5-carboxamide
SMILESCN(C)c1ncc(C(=O)NCCN2CCC(O)(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C20H26FN5O2/c1-25(2)19-23-13-15(14-24-19)18(27)22-9-12-26-10-7-20(28,8-11-26)16-3-5-17(21)6-4-16/h3-6,13-14,28H,7-12H2,1-2H3,(H,22,27)
InChIKeyPRHLJWHOOMSFLG-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.40
Rot. Bonds6

About 2-(dimethylamino)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]pyrimidine-5-carboxamide

2-(dimethylamino)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]pyrimidine-5-carboxamide (PubChem CID 46965070) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]pyrimidine-5-carboxamide
PubChem CID46965070
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC Name2-(dimethylamino)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]pyrimidine-5-carboxamide
SMILESCN(C)c1ncc(C(=O)NCCN2CCC(O)(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C20H26FN5O2/c1-25(2)19-23-13-15(14-24-19)18(27)22-9-12-26-10-7-20(28,8-11-26)16-3-5-17(21)6-4-16/h3-6,13-14,28H,7-12H2,1-2H3,(H,22,27)
InChIKeyPRHLJWHOOMSFLG-UHFFFAOYSA-N
XLogP1.40
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

1,1-Bis-(4-fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol
CID 10321125
2-(4-Fluoro-phenyl)-5-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-pentan-2-ol
CID 10021536
3-(4-Fluoro-phenyl)-6-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-hexan-3-ol
CID 10407185
3-(4-Fluoro-phenyl)-6-(4-pyrimidin-2-yl-piperazin-1-yl)-hexan-3-ol
CID 10428490
N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]pyrimidine-5-carboxamide
CID 25174305
US8609678, 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide [180]
CID 87356098
US8609678, 2-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide [181]
CID 87356303
US11530193, Example 89
CID 155682224
US11530193, Example 115
CID 156171421
5-({3-[2-(4-fluorophenyl)ethyl]-1-piperidinyl}carbonyl)-N-methyl-2-pyrimidinamine
CID 56871424
US11530193, Example 116
CID 155682140
US11530193, Example 91
CID 155682145

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]pyrimidine-5-carboxamide (CID 46965070) is 2-(dimethylamino)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]pyrimidine-5-carboxamide is CN(C)c1ncc(C(=O)NCCN2CCC(O)(c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 2-(dimethylamino)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]pyrimidine-5-carboxamide?
The InChIKey is PRHLJWHOOMSFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2/c1-25(2)19-23-13-15(14-24-19)18(27)22-9-12-26-10-7-20(28,8-11-26)16-3-5-17(21)6-4-16/h3-6,13-14,28H,7-12H2,1-2H3,(H,22,27).
What are the key properties of 2-(dimethylamino)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]pyrimidine-5-carboxamide?
2-(dimethylamino)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]pyrimidine-5-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 46965070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).