N-[5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C25H31F3N4O3 — CID 118521889

IUPACN-[5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)NC(C)(C)C)CC2)cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H31F3N4O3/c1-24(2,3)31-22(33)17-10-12-32(13-11-17)15-16-8-9-20(35-4)19(14-16)30-23(34)18-6-5-7-21(29-18)25(26,27)28/h5-9,14,17H,10-13,15H2,1-4H3,(H,30,34)(H,31,33)
InChIKeyVENKGIFSPGHQHW-UHFFFAOYSA-N
MW492.54 g/mol
LogP4.49
Rot. Bonds6

About N-[5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118521889) has the molecular formula C25H31F3N4O3 and a molecular weight of 492.54 g/mol. Its IUPAC name is N-[5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118521889
Molecular FormulaC25H31F3N4O3
Molecular Weight492.54 g/mol
Exact Mass492.23
IUPAC NameN-[5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)NC(C)(C)C)CC2)cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H31F3N4O3/c1-24(2,3)31-22(33)17-10-12-32(13-11-17)15-16-8-9-20(35-4)19(14-16)30-23(34)18-6-5-7-21(29-18)25(26,27)28/h5-9,14,17H,10-13,15H2,1-4H3,(H,30,34)(H,31,33)
InChIKeyVENKGIFSPGHQHW-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-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118521879
N-[2-(2-iodoethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164568000
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 795625
1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 45015995
N-[5-methoxy-2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 156530561
N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 45012607
methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate
CID 154970408
N-(2-cyclohexyl-6-methoxy-1-oxo-3H-isoindol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155449209
N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1076504
benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate
CID 150212264
N-[5-methoxy-2-(4-methylsulfanylpiperidin-1-yl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167191884

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118521889) is N-[5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1ccc(CN2CCC(C(=O)NC(C)(C)C)CC2)cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is VENKGIFSPGHQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N4O3/c1-24(2,3)31-22(33)17-10-12-32(13-11-17)15-16-8-9-20(35-4)19(14-16)30-23(34)18-6-5-7-21(29-18)25(26,27)28/h5-9,14,17H,10-13,15H2,1-4H3,(H,30,34)(H,31,33).
What are the key properties of N-[5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[5-[[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-[5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118521889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).