N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C16H18F3N5O — CID 91631940

IUPACN-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(N2CCC(NC(=O)c3ccc(C(F)(F)F)nc3)CC2)n[nH]1
InChIInChI=1S/C16H18F3N5O/c1-10-8-14(23-22-10)24-6-4-12(5-7-24)21-15(25)11-2-3-13(20-9-11)16(17,18)19/h2-3,8-9,12H,4-7H2,1H3,(H,21,25)(H,22,23)
InChIKeyQWCDJFFPMWRLCJ-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.53
Rot. Bonds3

About N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 91631940) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID91631940
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC NameN-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(N2CCC(NC(=O)c3ccc(C(F)(F)F)nc3)CC2)n[nH]1
InChIInChI=1S/C16H18F3N5O/c1-10-8-14(23-22-10)24-6-4-12(5-7-24)21-15(25)11-2-3-13(20-9-11)16(17,18)19/h2-3,8-9,12H,4-7H2,1H3,(H,21,25)(H,22,23)
InChIKeyQWCDJFFPMWRLCJ-UHFFFAOYSA-N
XLogP2.53
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 91631940) is N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1cc(N2CCC(NC(=O)c3ccc(C(F)(F)F)nc3)CC2)n[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is QWCDJFFPMWRLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-10-8-14(23-22-10)24-6-4-12(5-7-24)21-15(25)11-2-3-13(20-9-11)16(17,18)19/h2-3,8-9,12H,4-7H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 91631940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).