N-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide

C19H27N5O3S — CID 118293529

IUPACN-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N(C)C)c(S(=O)(=O)NC(C)(C)C)c2C)ccn1
InChIInChI=1S/C19H27N5O3S/c1-12-15(14-8-9-20-16(10-14)22-13(2)25)11-21-18(24(6)7)17(12)28(26,27)23-19(3,4)5/h8-11,23H,1-7H3,(H,20,22,25)
InChIKeyWYRMOJUSNQZIAP-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.55
Rot. Bonds5

About N-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118293529) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118293529
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC NameN-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N(C)C)c(S(=O)(=O)NC(C)(C)C)c2C)ccn1
InChIInChI=1S/C19H27N5O3S/c1-12-15(14-8-9-20-16(10-14)22-13(2)25)11-21-18(24(6)7)17(12)28(26,27)23-19(3,4)5/h8-11,23H,1-7H3,(H,20,22,25)
InChIKeyWYRMOJUSNQZIAP-UHFFFAOYSA-N
XLogP2.55
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 118293529) is N-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(N(C)C)c(S(=O)(=O)NC(C)(C)C)c2C)ccn1.
What is the InChIKey of N-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is WYRMOJUSNQZIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-12-15(14-8-9-20-16(10-14)22-13(2)25)11-21-18(24(6)7)17(12)28(26,27)23-19(3,4)5/h8-11,23H,1-7H3,(H,20,22,25).
What are the key properties of N-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 405.52 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118293529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).