N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

C17H25F3N4O3S — CID 20629685

IUPACN-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCc1c(C(F)(F)F)cnc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)c1C
InChIInChI=1S/C17H25F3N4O3S/c1-10(2)28(26,27)23-13-5-7-24(8-6-13)16(25)22-15-12(4)11(3)14(9-21-15)17(18,19)20/h9-10,13,23H,5-8H2,1-4H3,(H,21,22,25)
InChIKeyRMVMLGCITZJUKO-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.04
Rot. Bonds4

About N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 20629685) has the molecular formula C17H25F3N4O3S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
PubChem CID20629685
Molecular FormulaC17H25F3N4O3S
Molecular Weight422.47 g/mol
Exact Mass422.16
IUPAC NameN-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCc1c(C(F)(F)F)cnc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)c1C
InChIInChI=1S/C17H25F3N4O3S/c1-10(2)28(26,27)23-13-5-7-24(8-6-13)16(25)22-15-12(4)11(3)14(9-21-15)17(18,19)20/h9-10,13,23H,5-8H2,1-4H3,(H,21,22,25)
InChIKeyRMVMLGCITZJUKO-UHFFFAOYSA-N
XLogP3.04
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (CID 20629685) is N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is Cc1c(C(F)(F)F)cnc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)c1C.
What is the InChIKey of N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is RMVMLGCITZJUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O3S/c1-10(2)28(26,27)23-13-5-7-24(8-6-13)16(25)22-15-12(4)11(3)14(9-21-15)17(18,19)20/h9-10,13,23H,5-8H2,1-4H3,(H,21,22,25).
What are the key properties of N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 422.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 20629685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).