N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C19H19FN6O — CID 55955657

IUPACN-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)c(F)c1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C19H19FN6O/c20-16-11-15(4-5-17(16)26-10-8-21-13-26)24-18(27)14-3-1-9-25(12-14)19-22-6-2-7-23-19/h2,4-8,10-11,13-14H,1,3,9,12H2,(H,24,27)
InChIKeyGWWFIDBTNIYNKS-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.66
Rot. Bonds4

About N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 55955657) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID55955657
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC NameN-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)c(F)c1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C19H19FN6O/c20-16-11-15(4-5-17(16)26-10-8-21-13-26)24-18(27)14-3-1-9-25(12-14)19-22-6-2-7-23-19/h2,4-8,10-11,13-14H,1,3,9,12H2,(H,24,27)
InChIKeyGWWFIDBTNIYNKS-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

Analyze N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51686412
N-(3-acetamido-4-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 47023979
N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514742
3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 119860256
1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide
CID 47059867
(3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907702
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
(3S)-N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907697
N-(3-bromo-4-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134053965
(3S)-N-(1H-indol-5-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 97263501
N-(4-fluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514741
N-(3-fluoro-4-imidazol-1-ylphenyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 55855989

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 55955657) is N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(Nc1ccc(-n2ccnc2)c(F)c1)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is GWWFIDBTNIYNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c20-16-11-15(4-5-17(16)26-10-8-21-13-26)24-18(27)14-3-1-9-25(12-14)19-22-6-2-7-23-19/h2,4-8,10-11,13-14H,1,3,9,12H2,(H,24,27).
What are the key properties of N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-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-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 55955657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).