N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C25H31F3N4O3 — CID 118521879

IUPACN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1c(CN2CCC(C(=O)NC(C)(C)C)CC2)cccc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H31F3N4O3/c1-24(2,3)31-22(33)16-11-13-32(14-12-16)15-17-7-5-8-18(21(17)35-4)30-23(34)19-9-6-10-20(29-19)25(26,27)28/h5-10,16H,11-15H2,1-4H3,(H,30,34)(H,31,33)
InChIKeyIWZSSWCPBIYFEV-UHFFFAOYSA-N
MW492.54 g/mol
LogP4.49
Rot. Bonds6

About N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118521879) has the molecular formula C25H31F3N4O3 and a molecular weight of 492.54 g/mol. Its IUPAC name is N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118521879
Molecular FormulaC25H31F3N4O3
Molecular Weight492.54 g/mol
Exact Mass492.23
IUPAC NameN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1c(CN2CCC(C(=O)NC(C)(C)C)CC2)cccc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H31F3N4O3/c1-24(2,3)31-22(33)16-11-13-32(14-12-16)15-17-7-5-8-18(21(17)35-4)30-23(34)19-9-6-10-20(29-19)25(26,27)28/h5-10,16H,11-15H2,1-4H3,(H,30,34)(H,31,33)
InChIKeyIWZSSWCPBIYFEV-UHFFFAOYSA-N
XLogP4.49
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118521889
N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 795625
N-(2-methoxyphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 37179444
N-(1-hydroxy-2-methylpropan-2-yl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 51362423
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249339
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 43924053
N-(1-hydroxy-2-methylpropan-2-yl)-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 51362417
N-[2-(4-formylpiperidin-1-yl)-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155438510
1-(naphthalen-1-ylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 43923942
1-[(6-amino-2-formylpyrimidin-4-yl)methyl]-N-tert-butylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine
CID 174749257
N-(2-cyclohexyl-7-fluoro-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448915
methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate
CID 154970408

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118521879) is N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1c(CN2CCC(C(=O)NC(C)(C)C)CC2)cccc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is IWZSSWCPBIYFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N4O3/c1-24(2,3)31-22(33)16-11-13-32(14-12-16)15-17-7-5-8-18(21(17)35-4)30-23(34)19-9-6-10-20(29-19)25(26,27)28/h5-10,16H,11-15H2,1-4H3,(H,30,34)(H,31,33).
What are the key properties of N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 492.54 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118521879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).