1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide

C19H24FN5OS — CID 134798788

IUPAC1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide
SMILESCSCCNC(=O)C1CCN(c2nccc(Nc3ccccc3F)n2)CC1
InChIInChI=1S/C19H24FN5OS/c1-27-13-10-21-18(26)14-7-11-25(12-8-14)19-22-9-6-17(24-19)23-16-5-3-2-4-15(16)20/h2-6,9,14H,7-8,10-13H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyOITUMCSFNZJMTJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.05
Rot. Bonds7

About 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide

1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide (PubChem CID 134798788) has the molecular formula C19H24FN5OS and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide
PubChem CID134798788
Molecular FormulaC19H24FN5OS
Molecular Weight389.50 g/mol
Exact Mass389.17
IUPAC Name1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide
SMILESCSCCNC(=O)C1CCN(c2nccc(Nc3ccccc3F)n2)CC1
InChIInChI=1S/C19H24FN5OS/c1-27-13-10-21-18(26)14-7-11-25(12-8-14)19-22-9-6-17(24-19)23-16-5-3-2-4-15(16)20/h2-6,9,14H,7-8,10-13H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyOITUMCSFNZJMTJ-UHFFFAOYSA-N
XLogP3.05
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-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

1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 134799597
1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 134800218
N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide
CID 134796384
N-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide
CID 134798498
methyl 4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxylate
CID 134800523
N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899013
1-[4-(2-chloroanilino)pyrimidin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 134797703
1-[4-(2-chloroanilino)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 134800551
[4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
CID 134799983
3-chloro-N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide
CID 134799618
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102218
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 650826

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide (CID 134798788) is 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide is CSCCNC(=O)C1CCN(c2nccc(Nc3ccccc3F)n2)CC1.
What is the InChIKey of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide?
The InChIKey is OITUMCSFNZJMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5OS/c1-27-13-10-21-18(26)14-7-11-25(12-8-14)19-22-9-6-17(24-19)23-16-5-3-2-4-15(16)20/h2-6,9,14H,7-8,10-13H2,1H3,(H,21,26)(H,22,23,24).
What are the key properties of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide?
1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 134798788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).