N-[3-[[4-(3-methylbutylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C25H31F3N4O2 — CID 118521900

IUPACN-[3-[[4-(3-methylbutylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CC1
InChIInChI=1S/C25H31F3N4O2/c1-17(2)9-12-29-23(33)19-10-13-32(14-11-19)16-18-5-3-6-20(15-18)30-24(34)21-7-4-8-22(31-21)25(26,27)28/h3-8,15,17,19H,9-14,16H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyLTYKSTZBACYLQK-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.73
Rot. Bonds8

About N-[3-[[4-(3-methylbutylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[3-[[4-(3-methylbutylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118521900) has the molecular formula C25H31F3N4O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[3-[[4-(3-methylbutylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(3-methylbutylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118521900
Molecular FormulaC25H31F3N4O2
Molecular Weight476.54 g/mol
Exact Mass476.24
IUPAC NameN-[3-[[4-(3-methylbutylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CC1
InChIInChI=1S/C25H31F3N4O2/c1-17(2)9-12-29-23(33)19-10-13-32(14-11-19)16-18-5-3-6-20(15-18)30-24(34)21-7-4-8-22(31-21)25(26,27)28/h3-8,15,17,19H,9-14,16H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyLTYKSTZBACYLQK-UHFFFAOYSA-N
XLogP4.73
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(3-methylbutylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[[4-(3-methylbutylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118521900) is N-[3-[[4-(3-methylbutylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(3-methylbutylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[[4-(3-methylbutylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)CCNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CC1.
What is the InChIKey of N-[3-[[4-(3-methylbutylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is LTYKSTZBACYLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N4O2/c1-17(2)9-12-29-23(33)19-10-13-32(14-11-19)16-18-5-3-6-20(15-18)30-24(34)21-7-4-8-22(31-21)25(26,27)28/h3-8,15,17,19H,9-14,16H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of N-[3-[[4-(3-methylbutylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-[[4-(3-methylbutylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(3-methylbutylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118521900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).