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

C25H23F3N4O3 — CID 127044443

IUPACN-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)n2)cc1OC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C25H23F3N4O3/c1-16-7-8-18(30-23(33)20-5-2-6-22(31-20)25(26,27)28)14-21(16)35-19-9-12-32(13-10-19)24(34)17-4-3-11-29-15-17/h2-8,11,14-15,19H,9-10,12-13H2,1H3,(H,30,33)
InChIKeyMOUJNRNBMQOIRN-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.74
Rot. Bonds5

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

N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 127044443) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID127044443
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC NameN-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)n2)cc1OC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C25H23F3N4O3/c1-16-7-8-18(30-23(33)20-5-2-6-22(31-20)25(26,27)28)14-21(16)35-19-9-12-32(13-10-19)24(34)17-4-3-11-29-15-17/h2-8,11,14-15,19H,9-10,12-13H2,1H3,(H,30,33)
InChIKeyMOUJNRNBMQOIRN-UHFFFAOYSA-N
XLogP4.74
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide
CID 139518773
N-[4-methyl-3-[1-[6-(methylamino)pyridine-3-carbonyl]piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 137467019
N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 171683860
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
[4-[2-methyl-5-(methylamino)phenoxy]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 137466986
3-(1-cyanoethyl)-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]benzamide
CID 139518784
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 56796144
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxyphenyl]benzamide
CID 139518756
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121017487
1-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90521501
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638
4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 155219080

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 127044443) is N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)n2)cc1OC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is MOUJNRNBMQOIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c1-16-7-8-18(30-23(33)20-5-2-6-22(31-20)25(26,27)28)14-21(16)35-19-9-12-32(13-10-19)24(34)17-4-3-11-29-15-17/h2-8,11,14-15,19H,9-10,12-13H2,1H3,(H,30,33).
What are the key properties of N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 127044443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).