N-[4-[6-amino-5-[di(propan-2-yl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide

C18H25N5O3S — CID 118248982

IUPACN-[4-[6-amino-5-[di(propan-2-yl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N(C(C)C)C(C)C)c2)ccn1
InChIInChI=1S/C18H25N5O3S/c1-11(2)23(12(3)4)27(25,26)16-8-15(10-21-18(16)19)14-6-7-20-17(9-14)22-13(5)24/h6-12H,1-5H3,(H2,19,21)(H,20,22,24)
InChIKeyDDQOPMXTKMMFLY-UHFFFAOYSA-N
MW391.50 g/mol
LogP2.49
Rot. Bonds6

About N-[4-[6-amino-5-[di(propan-2-yl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-amino-5-[di(propan-2-yl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118248982) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[4-[6-amino-5-[di(propan-2-yl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-[di(propan-2-yl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118248982
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC NameN-[4-[6-amino-5-[di(propan-2-yl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N(C(C)C)C(C)C)c2)ccn1
InChIInChI=1S/C18H25N5O3S/c1-11(2)23(12(3)4)27(25,26)16-8-15(10-21-18(16)19)14-6-7-20-17(9-14)22-13(5)24/h6-12H,1-5H3,(H2,19,21)(H,20,22,24)
InChIKeyDDQOPMXTKMMFLY-UHFFFAOYSA-N
XLogP2.49
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-[di(propan-2-yl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-amino-5-[di(propan-2-yl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide (CID 118248982) is N-[4-[6-amino-5-[di(propan-2-yl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-amino-5-[di(propan-2-yl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-amino-5-[di(propan-2-yl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N(C(C)C)C(C)C)c2)ccn1.
What is the InChIKey of N-[4-[6-amino-5-[di(propan-2-yl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is DDQOPMXTKMMFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-11(2)23(12(3)4)27(25,26)16-8-15(10-21-18(16)19)14-6-7-20-17(9-14)22-13(5)24/h6-12H,1-5H3,(H2,19,21)(H,20,22,24).
What are the key properties of N-[4-[6-amino-5-[di(propan-2-yl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-amino-5-[di(propan-2-yl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 391.50 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-[di(propan-2-yl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118248982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).