4-[[1-[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide

C18H23N5O4S — CID 166320634

IUPAC4-[[1-[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide
SMILESCc1cc(N)nc(C)c1CNC(=O)C(C)NS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C18H23N5O4S/c1-10-8-16(19)22-11(2)15(10)9-21-18(25)12(3)23-28(26,27)14-6-4-13(5-7-14)17(20)24/h4-8,12,23H,9H2,1-3H3,(H2,19,22)(H2,20,24)(H,21,25)
InChIKeyQBBBSSHUZQFKMT-UHFFFAOYSA-N
MW405.48 g/mol
LogP0.36
Rot. Bonds7

About 4-[[1-[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide

4-[[1-[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide (PubChem CID 166320634) has the molecular formula C18H23N5O4S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-[[1-[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[[1-[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide
PubChem CID166320634
Molecular FormulaC18H23N5O4S
Molecular Weight405.48 g/mol
Exact Mass405.15
IUPAC Name4-[[1-[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide
SMILESCc1cc(N)nc(C)c1CNC(=O)C(C)NS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C18H23N5O4S/c1-10-8-16(19)22-11(2)15(10)9-21-18(25)12(3)23-28(26,27)14-6-4-13(5-7-14)17(20)24/h4-8,12,23H,9H2,1-3H3,(H2,19,22)(H2,20,24)(H,21,25)
InChIKeyQBBBSSHUZQFKMT-UHFFFAOYSA-N
XLogP0.36
TPSA157.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide?
The IUPAC name of 4-[[1-[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide (CID 166320634) is 4-[[1-[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide.
What is the SMILES notation for 4-[[1-[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide?
The canonical SMILES for 4-[[1-[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide is Cc1cc(N)nc(C)c1CNC(=O)C(C)NS(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[1-[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide?
The InChIKey is QBBBSSHUZQFKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4S/c1-10-8-16(19)22-11(2)15(10)9-21-18(25)12(3)23-28(26,27)14-6-4-13(5-7-14)17(20)24/h4-8,12,23H,9H2,1-3H3,(H2,19,22)(H2,20,24)(H,21,25).
What are the key properties of 4-[[1-[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide?
4-[[1-[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide has a molecular weight of 405.48 g/mol, XLogP of 0.36, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide is sourced from PubChem (CID 166320634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).