N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C18H20F3N5O — CID 136512439

IUPACN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCc1cc(N2CCC(NC(=O)c3ccc(C(F)(F)F)nc3)CC2)ncn1
InChIInChI=1S/C18H20F3N5O/c1-2-13-9-16(24-11-23-13)26-7-5-14(6-8-26)25-17(27)12-3-4-15(22-10-12)18(19,20)21/h3-4,9-11,14H,2,5-8H2,1H3,(H,25,27)
InChIKeyLSLIDWOIGWBLBW-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.85
Rot. Bonds4

About N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 136512439) has the molecular formula C18H20F3N5O and a molecular weight of 379.39 g/mol. Its IUPAC name is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID136512439
Molecular FormulaC18H20F3N5O
Molecular Weight379.39 g/mol
Exact Mass379.16
IUPAC NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCc1cc(N2CCC(NC(=O)c3ccc(C(F)(F)F)nc3)CC2)ncn1
InChIInChI=1S/C18H20F3N5O/c1-2-13-9-16(24-11-23-13)26-7-5-14(6-8-26)25-17(27)12-3-4-15(22-10-12)18(19,20)21/h3-4,9-11,14H,2,5-8H2,1H3,(H,25,27)
InChIKeyLSLIDWOIGWBLBW-UHFFFAOYSA-N
XLogP2.85
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]benzamide;dihydrochloride
CID 119947419
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide
CID 154803218
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide
CID 119897919
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 126775320
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride
CID 119897918
N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 99700655
N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126795988
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 167870558
7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide
CID 119897857
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide
CID 136545875
5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 91817778
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 136512439) is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is CCc1cc(N2CCC(NC(=O)c3ccc(C(F)(F)F)nc3)CC2)ncn1.
What is the InChIKey of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LSLIDWOIGWBLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O/c1-2-13-9-16(24-11-23-13)26-7-5-14(6-8-26)25-17(27)12-3-4-15(22-10-12)18(19,20)21/h3-4,9-11,14H,2,5-8H2,1H3,(H,25,27).
What are the key properties of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 136512439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).