N-[4-[6-methyl-5-[(1-methylimidazol-2-yl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide

C17H18N6O3S — CID 118249325

IUPACN-[4-[6-methyl-5-[(1-methylimidazol-2-yl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3nccn3C)c2)ccn1
InChIInChI=1S/C17H18N6O3S/c1-11-15(22-27(25,26)17-19-6-7-23(17)3)8-14(10-20-11)13-4-5-18-16(9-13)21-12(2)24/h4-10,22H,1-3H3,(H,18,21,24)
InChIKeyMASVFNZKODCKQW-UHFFFAOYSA-N
MW386.44 g/mol
LogP1.94
Rot. Bonds5

About N-[4-[6-methyl-5-[(1-methylimidazol-2-yl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-methyl-5-[(1-methylimidazol-2-yl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118249325) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is N-[4-[6-methyl-5-[(1-methylimidazol-2-yl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-methyl-5-[(1-methylimidazol-2-yl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118249325
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC NameN-[4-[6-methyl-5-[(1-methylimidazol-2-yl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3nccn3C)c2)ccn1
InChIInChI=1S/C17H18N6O3S/c1-11-15(22-27(25,26)17-19-6-7-23(17)3)8-14(10-20-11)13-4-5-18-16(9-13)21-12(2)24/h4-10,22H,1-3H3,(H,18,21,24)
InChIKeyMASVFNZKODCKQW-UHFFFAOYSA-N
XLogP1.94
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-methyl-5-[(1-methylimidazol-2-yl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-methyl-5-[(1-methylimidazol-2-yl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide (CID 118249325) is N-[4-[6-methyl-5-[(1-methylimidazol-2-yl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-methyl-5-[(1-methylimidazol-2-yl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-methyl-5-[(1-methylimidazol-2-yl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3nccn3C)c2)ccn1.
What is the InChIKey of N-[4-[6-methyl-5-[(1-methylimidazol-2-yl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is MASVFNZKODCKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-11-15(22-27(25,26)17-19-6-7-23(17)3)8-14(10-20-11)13-4-5-18-16(9-13)21-12(2)24/h4-10,22H,1-3H3,(H,18,21,24).
What are the key properties of N-[4-[6-methyl-5-[(1-methylimidazol-2-yl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-methyl-5-[(1-methylimidazol-2-yl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 386.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-methyl-5-[(1-methylimidazol-2-yl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118249325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).