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

C24H29F3N4O3 — CID 72705784

IUPACN-[3-[[4-(2-methoxypropylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOC(C)CNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CC1
InChIInChI=1S/C24H29F3N4O3/c1-16(34-2)14-28-22(32)18-9-11-31(12-10-18)15-17-5-3-6-19(13-17)29-23(33)20-7-4-8-21(30-20)24(25,26)27/h3-8,13,16,18H,9-12,14-15H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyMNBKVDLCSYJGRU-UHFFFAOYSA-N
MW478.52 g/mol
LogP3.72
Rot. Bonds8

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

N-[3-[[4-(2-methoxypropylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 72705784) has the molecular formula C24H29F3N4O3 and a molecular weight of 478.52 g/mol. Its IUPAC name is N-[3-[[4-(2-methoxypropylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(2-methoxypropylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID72705784
Molecular FormulaC24H29F3N4O3
Molecular Weight478.52 g/mol
Exact Mass478.22
IUPAC NameN-[3-[[4-(2-methoxypropylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOC(C)CNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CC1
InChIInChI=1S/C24H29F3N4O3/c1-16(34-2)14-28-22(32)18-9-11-31(12-10-18)15-17-5-3-6-19(13-17)29-23(33)20-7-4-8-21(30-20)24(25,26)27/h3-8,13,16,18H,9-12,14-15H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyMNBKVDLCSYJGRU-UHFFFAOYSA-N
XLogP3.72
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(2-methoxypropylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[[4-(2-methoxypropylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 72705784) is N-[3-[[4-(2-methoxypropylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(2-methoxypropylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[[4-(2-methoxypropylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is COC(C)CNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CC1.
What is the InChIKey of N-[3-[[4-(2-methoxypropylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is MNBKVDLCSYJGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O3/c1-16(34-2)14-28-22(32)18-9-11-31(12-10-18)15-17-5-3-6-19(13-17)29-23(33)20-7-4-8-21(30-20)24(25,26)27/h3-8,13,16,18H,9-12,14-15H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of N-[3-[[4-(2-methoxypropylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-[[4-(2-methoxypropylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 478.52 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(2-methoxypropylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 72705784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).