N-[5-[[3-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]methyl]-2-pyridinyl]acetamide

C17H25N7O3S — CID 146147628

IUPACN-[5-[[3-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]methyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Cn2c(C)nnc2N2CCC(NS(C)(=O)=O)CC2)cn1
InChIInChI=1S/C17H25N7O3S/c1-12-20-21-17(23-8-6-15(7-9-23)22-28(3,26)27)24(12)11-14-4-5-16(18-10-14)19-13(2)25/h4-5,10,15,22H,6-9,11H2,1-3H3,(H,18,19,25)
InChIKeySQRQIIGFDDHITR-UHFFFAOYSA-N
MW407.50 g/mol
LogP0.51
Rot. Bonds6

About N-[5-[[3-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]methyl]-2-pyridinyl]acetamide

N-[5-[[3-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]methyl]-2-pyridinyl]acetamide (PubChem CID 146147628) has the molecular formula C17H25N7O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[5-[[3-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]methyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]methyl]-2-pyridinyl]acetamide
PubChem CID146147628
Molecular FormulaC17H25N7O3S
Molecular Weight407.50 g/mol
Exact Mass407.17
IUPAC NameN-[5-[[3-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]methyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Cn2c(C)nnc2N2CCC(NS(C)(=O)=O)CC2)cn1
InChIInChI=1S/C17H25N7O3S/c1-12-20-21-17(23-8-6-15(7-9-23)22-28(3,26)27)24(12)11-14-4-5-16(18-10-14)19-13(2)25/h4-5,10,15,22H,6-9,11H2,1-3H3,(H,18,19,25)
InChIKeySQRQIIGFDDHITR-UHFFFAOYSA-N
XLogP0.51
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]methyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[[3-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]methyl]-2-pyridinyl]acetamide (CID 146147628) is N-[5-[[3-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]methyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[[3-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]methyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[[3-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]methyl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(Cn2c(C)nnc2N2CCC(NS(C)(=O)=O)CC2)cn1.
What is the InChIKey of N-[5-[[3-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]methyl]-2-pyridinyl]acetamide?
The InChIKey is SQRQIIGFDDHITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O3S/c1-12-20-21-17(23-8-6-15(7-9-23)22-28(3,26)27)24(12)11-14-4-5-16(18-10-14)19-13(2)25/h4-5,10,15,22H,6-9,11H2,1-3H3,(H,18,19,25).
What are the key properties of N-[5-[[3-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]methyl]-2-pyridinyl]acetamide?
N-[5-[[3-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]methyl]-2-pyridinyl]acetamide has a molecular weight of 407.50 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[4-(methanesulfonamido)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]methyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 146147628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).