N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide

C16H21N5O3S — CID 118248961

IUPACN-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)NCC(C)C)c2)ccn1
InChIInChI=1S/C16H21N5O3S/c1-10(2)8-20-25(23,24)14-6-13(9-19-16(14)17)12-4-5-18-15(7-12)21-11(3)22/h4-7,9-10,20H,8H2,1-3H3,(H2,17,19)(H,18,21,22)
InChIKeyNMUMMDMIYLNIJI-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.62
Rot. Bonds6

About N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118248961) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118248961
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC NameN-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)NCC(C)C)c2)ccn1
InChIInChI=1S/C16H21N5O3S/c1-10(2)8-20-25(23,24)14-6-13(9-19-16(14)17)12-4-5-18-15(7-12)21-11(3)22/h4-7,9-10,20H,8H2,1-3H3,(H2,17,19)(H,18,21,22)
InChIKeyNMUMMDMIYLNIJI-UHFFFAOYSA-N
XLogP1.62
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide (CID 118248961) is N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)NCC(C)C)c2)ccn1.
What is the InChIKey of N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is NMUMMDMIYLNIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-10(2)8-20-25(23,24)14-6-13(9-19-16(14)17)12-4-5-18-15(7-12)21-11(3)22/h4-7,9-10,20H,8H2,1-3H3,(H2,17,19)(H,18,21,22).
What are the key properties of N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 363.44 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118248961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).