N-[4-[5-(azetidin-1-ylsulfonylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

C16H19N5O3S — CID 118249420

IUPACN-[4-[5-(azetidin-1-ylsulfonylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)N3CCC3)c2)ccn1
InChIInChI=1S/C16H19N5O3S/c1-11-15(20-25(23,24)21-6-3-7-21)8-14(10-18-11)13-4-5-17-16(9-13)19-12(2)22/h4-5,8-10,20H,3,6-7H2,1-2H3,(H,17,19,22)
InChIKeyUOFHPPDCDGPRJB-UHFFFAOYSA-N
MW361.43 g/mol
LogP1.77
Rot. Bonds5

About N-[4-[5-(azetidin-1-ylsulfonylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[5-(azetidin-1-ylsulfonylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118249420) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[4-[5-(azetidin-1-ylsulfonylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(azetidin-1-ylsulfonylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118249420
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC NameN-[4-[5-(azetidin-1-ylsulfonylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)N3CCC3)c2)ccn1
InChIInChI=1S/C16H19N5O3S/c1-11-15(20-25(23,24)21-6-3-7-21)8-14(10-18-11)13-4-5-17-16(9-13)19-12(2)22/h4-5,8-10,20H,3,6-7H2,1-2H3,(H,17,19,22)
InChIKeyUOFHPPDCDGPRJB-UHFFFAOYSA-N
XLogP1.77
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(azetidin-1-ylsulfonylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(azetidin-1-ylsulfonylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 118249420) is N-[4-[5-(azetidin-1-ylsulfonylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(azetidin-1-ylsulfonylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(azetidin-1-ylsulfonylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)N3CCC3)c2)ccn1.
What is the InChIKey of N-[4-[5-(azetidin-1-ylsulfonylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is UOFHPPDCDGPRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-11-15(20-25(23,24)21-6-3-7-21)8-14(10-18-11)13-4-5-17-16(9-13)19-12(2)22/h4-5,8-10,20H,3,6-7H2,1-2H3,(H,17,19,22).
What are the key properties of N-[4-[5-(azetidin-1-ylsulfonylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-(azetidin-1-ylsulfonylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 361.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(azetidin-1-ylsulfonylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118249420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).