N-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C19H23FN4O — CID 109308302

IUPACN-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCCN(c2nccc(C(=O)NCCc3ccccc3F)n2)C1
InChIInChI=1S/C19H23FN4O/c1-14-5-4-12-24(13-14)19-22-11-9-17(23-19)18(25)21-10-8-15-6-2-3-7-16(15)20/h2-3,6-7,9,11,14H,4-5,8,10,12-13H2,1H3,(H,21,25)
InChIKeyUPIXTHCQEUBMGQ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.82
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109308302) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109308302
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCCN(c2nccc(C(=O)NCCc3ccccc3F)n2)C1
InChIInChI=1S/C19H23FN4O/c1-14-5-4-12-24(13-14)19-22-11-9-17(23-19)18(25)21-10-8-15-6-2-3-7-16(15)20/h2-3,6-7,9,11,14H,4-5,8,10,12-13H2,1H3,(H,21,25)
InChIKeyUPIXTHCQEUBMGQ-UHFFFAOYSA-N
XLogP2.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302046
2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312704
N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109311314
N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112894597
N-(4-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312710
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297498
N-(3,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312663
2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330747
N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312759
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312744
2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109302379
N-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312677

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109308302) is N-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is CC1CCCN(c2nccc(C(=O)NCCc3ccccc3F)n2)C1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is UPIXTHCQEUBMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-14-5-4-12-24(13-14)19-22-11-9-17(23-19)18(25)21-10-8-15-6-2-3-7-16(15)20/h2-3,6-7,9,11,14H,4-5,8,10,12-13H2,1H3,(H,21,25).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109308302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).