N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide

C18H19F3N4O — CID 90546033

IUPACN-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESCC1CCN(c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ncn2)CC1
InChIInChI=1S/C18H19F3N4O/c1-12-6-8-25(9-7-12)16-10-15(22-11-23-16)24-17(26)13-2-4-14(5-3-13)18(19,20)21/h2-5,10-12H,6-9H2,1H3,(H,22,23,24,26)
InChIKeyIKWAXOUWMIYNTR-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.98
Rot. Bonds3

About N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide

N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide (PubChem CID 90546033) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
PubChem CID90546033
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC NameN-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESCC1CCN(c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ncn2)CC1
InChIInChI=1S/C18H19F3N4O/c1-12-6-8-25(9-7-12)16-10-15(22-11-23-16)24-17(26)13-2-4-14(5-3-13)18(19,20)21/h2-5,10-12H,6-9H2,1H3,(H,22,23,24,26)
InChIKeyIKWAXOUWMIYNTR-UHFFFAOYSA-N
XLogP3.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 90546104
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide
CID 90545933
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90545273
3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide
CID 90546179
4-[[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113192856
2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545945
5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide
CID 90546108
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 41089285
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide
CID 90546125
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide
CID 90545034
2-(4-methylphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546048

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide (CID 90546033) is N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide is CC1CCN(c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ncn2)CC1.
What is the InChIKey of N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is IKWAXOUWMIYNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-12-6-8-25(9-7-12)16-10-15(22-11-23-16)24-17(26)13-2-4-14(5-3-13)18(19,20)21/h2-5,10-12H,6-9H2,1H3,(H,22,23,24,26).
What are the key properties of N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide?
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 364.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 90546033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).