N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

C19H19FN6O — CID 90520304

IUPACN-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C19H19FN6O/c20-15-2-1-3-16(10-15)24-19(27)14-4-7-25(8-5-14)17-11-18(23-12-22-17)26-9-6-21-13-26/h1-3,6,9-14H,4-5,7-8H2,(H,24,27)
InChIKeyIGIXCECZTMRCKA-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.66
Rot. Bonds4

About N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 90520304) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID90520304
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC NameN-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C19H19FN6O/c20-15-2-1-3-16(10-15)24-19(27)14-4-7-25(8-5-14)17-11-18(23-12-22-17)26-9-6-21-13-26/h1-3,6,9-14H,4-5,7-8H2,(H,24,27)
InChIKeyIGIXCECZTMRCKA-UHFFFAOYSA-N
XLogP2.66
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600324
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 90520307
N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520297
N-[2-(4-fluorophenyl)ethyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520435
N-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520287
(3S)-N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907697
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 90520313
N-cyclohexyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520214
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[3-(methanesulfonamido)phenyl]azetidine-3-carboxamide
CID 122161183
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide
CID 90520395
1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 53151343
N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170437

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (CID 90520304) is N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is O=C(Nc1cccc(F)c1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is IGIXCECZTMRCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c20-15-2-1-3-16(10-15)24-19(27)14-4-7-25(8-5-14)17-11-18(23-12-22-17)26-9-6-21-13-26/h1-3,6,9-14H,4-5,7-8H2,(H,24,27).
What are the key properties of N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90520304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).