N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C17H19FN4O — CID 109342239

IUPACN-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCN(c2cc(C(=O)Nc3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C17H19FN4O/c1-12-6-8-22(9-7-12)16-10-15(19-11-20-16)17(23)21-14-4-2-13(18)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,21,23)
InChIKeyNAOYMARPYUCELS-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.10
Rot. Bonds3

About N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109342239) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109342239
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCN(c2cc(C(=O)Nc3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C17H19FN4O/c1-12-6-8-22(9-7-12)16-10-15(19-11-20-16)17(23)21-14-4-2-13(18)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,21,23)
InChIKeyNAOYMARPYUCELS-UHFFFAOYSA-N
XLogP3.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342251
N-(4-acetylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342268
N-(4-cyanophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342313
N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342287
N-(4-fluorophenyl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 53136600
N-(2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342253
N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355094
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338836
N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355141
N-(4-fluorophenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081738
N-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355075
N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342307

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109342239) is N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is CC1CCN(c2cc(C(=O)Nc3ccc(F)cc3)ncn2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is NAOYMARPYUCELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-12-6-8-22(9-7-12)16-10-15(19-11-20-16)17(23)21-14-4-2-13(18)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,21,23).
What are the key properties of N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109342239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).