N-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide

C16H22F3N3O3S — CID 56500520

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O3S/c1-12-5-10-22(11-6-12)9-3-8-20-14(23)13-4-2-7-21-15(13)26(24,25)16(17,18)19/h2,4,7,12H,3,5-6,8-11H2,1H3,(H,20,23)
InChIKeyCFWGYSQOCILZJT-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.23
Rot. Bonds6

About N-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide

N-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide (PubChem CID 56500520) has the molecular formula C16H22F3N3O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
PubChem CID56500520
Molecular FormulaC16H22F3N3O3S
Molecular Weight393.43 g/mol
Exact Mass393.13
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O3S/c1-12-5-10-22(11-6-12)9-3-8-20-14(23)13-4-2-7-21-15(13)26(24,25)16(17,18)19/h2,4,7,12H,3,5-6,8-11H2,1H3,(H,20,23)
InChIKeyCFWGYSQOCILZJT-UHFFFAOYSA-N
XLogP2.23
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 107518109
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56504110
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51082187
2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416174
N-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56500916
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111539069
2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 100709827
N-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119394322
N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 71881401
2-chloro-N-[2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]benzamide
CID 111386582
2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 103753970

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide (CID 56500520) is N-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide is CC1CCN(CCCNC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The InChIKey is CFWGYSQOCILZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3S/c1-12-5-10-22(11-6-12)9-3-8-20-14(23)13-4-2-7-21-15(13)26(24,25)16(17,18)19/h2,4,7,12H,3,5-6,8-11H2,1H3,(H,20,23).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide is sourced from PubChem (CID 56500520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).