N-[(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide

C16H20FN7O2 — CID 70705766

IUPACN-[(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
SMILESCN(C)c1nc(N2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)ncc1F
InChIInChI=1S/C16H20FN7O2/c1-23(2)14-10(17)7-20-16(22-14)24-6-3-11(13(25)9-24)21-15(26)12-8-18-4-5-19-12/h4-5,7-8,11,13,25H,3,6,9H2,1-2H3,(H,21,26)/t11-,13-/m1/s1
InChIKeyISNRKPNEQSBKOM-DGCLKSJQSA-N
MW361.38 g/mol
LogP-0.16
Rot. Bonds4

About N-[(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide

N-[(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 70705766) has the molecular formula C16H20FN7O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is N-[(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
PubChem CID70705766
Molecular FormulaC16H20FN7O2
Molecular Weight361.38 g/mol
Exact Mass361.17
IUPAC NameN-[(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
SMILESCN(C)c1nc(N2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)ncc1F
InChIInChI=1S/C16H20FN7O2/c1-23(2)14-10(17)7-20-16(22-14)24-6-3-11(13(25)9-24)21-15(26)12-8-18-4-5-19-12/h4-5,7-8,11,13,25H,3,6,9H2,1-2H3,(H,21,26)/t11-,13-/m1/s1
InChIKeyISNRKPNEQSBKOM-DGCLKSJQSA-N
XLogP-0.16
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[(3R*,4R*)-3-hydroxy-1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 70783063
US10906888, Example 111
CID 139580313
N-[(3R*,4R*)-3-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 70719447
N-((3R*,4R*)-1-{[2-(ethylthio)pyrimidin-5-yl]methyl}-3-hydroxypiperidin-4-yl)pyrazine-2-carboxamide
CID 70743113
N-[(3S,4S)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 164642551
US11248001, Example 190
CID 154604263
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)pyrazine-2-carboxamide
CID 90634312
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)-5-methylpyrazine-2-carboxamide
CID 90634405
N-[(3R,3aS,7aS)-1-(5-fluoropyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
CID 98777550
5-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 121935747
(3-((5-Fluoropyrimidin-2-yl)oxy)piperidin-1-yl)(pyrazin-2-yl)methanone
CID 122258433
(3-((5-Fluoropyrimidin-2-yl)oxy)piperidin-1-yl)(5-methylpyrazin-2-yl)methanone
CID 122258538

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide (CID 70705766) is N-[(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide is CN(C)c1nc(N2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)ncc1F.
What is the InChIKey of N-[(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is ISNRKPNEQSBKOM-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H20FN7O2/c1-23(2)14-10(17)7-20-16(22-14)24-6-3-11(13(25)9-24)21-15(26)12-8-18-4-5-19-12/h4-5,7-8,11,13,25H,3,6,9H2,1-2H3,(H,21,26)/t11-,13-/m1/s1.
What are the key properties of N-[(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
N-[(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 361.38 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 70705766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).