2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride

C14H16ClF3N6O — CID 170774255

IUPAC2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1
InChIInChI=1S/C14H15F3N6O.ClH/c15-14(16,17)11-7-10(12(24)20-9-1-3-18-4-2-9)21-13(22-11)23-6-5-19-8-23;/h5-9,18H,1-4H2,(H,20,24);1H
InChIKeyXVARATFVSWNWLK-UHFFFAOYSA-N
MW376.77 g/mol
LogP1.58
Rot. Bonds3

About 2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride

2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride (PubChem CID 170774255) has the molecular formula C14H16ClF3N6O and a molecular weight of 376.77 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride
PubChem CID170774255
Molecular FormulaC14H16ClF3N6O
Molecular Weight376.77 g/mol
Exact Mass376.10
IUPAC Name2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1
InChIInChI=1S/C14H15F3N6O.ClH/c15-14(16,17)11-7-10(12(24)20-9-1-3-18-4-2-9)21-13(22-11)23-6-5-19-8-23;/h5-9,18H,1-4H2,(H,20,24);1H
InChIKeyXVARATFVSWNWLK-UHFFFAOYSA-N
XLogP1.58
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.77
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride?
The IUPAC name of 2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride (CID 170774255) is 2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride?
The canonical SMILES for 2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride is Cl.O=C(NC1CCNCC1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride?
The InChIKey is XVARATFVSWNWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O.ClH/c15-14(16,17)11-7-10(12(24)20-9-1-3-18-4-2-9)21-13(22-11)23-6-5-19-8-23;/h5-9,18H,1-4H2,(H,20,24);1H.
What are the key properties of 2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride?
2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride has a molecular weight of 376.77 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 170774255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).