N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(piperidin-4-ylsulfonylamino)-3-pyridinyl]acetamide

C22H27N7O3S — CID 177349144

IUPACN-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(piperidin-4-ylsulfonylamino)-3-pyridinyl]acetamide
SMILESNc1ncc(-c2ccc(CNC(=O)Cc3ccc(NS(=O)(=O)C4CCNCC4)nc3)cc2)[nH]1
InChIInChI=1S/C22H27N7O3S/c23-22-27-14-19(28-22)17-4-1-15(2-5-17)12-26-21(30)11-16-3-6-20(25-13-16)29-33(31,32)18-7-9-24-10-8-18/h1-6,13-14,18,24H,7-12H2,(H,25,29)(H,26,30)(H3,23,27,28)
InChIKeyNFHFGBRQKUVPRK-UHFFFAOYSA-N
MW469.57 g/mol
LogP1.41
Rot. Bonds8

About N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(piperidin-4-ylsulfonylamino)-3-pyridinyl]acetamide

N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(piperidin-4-ylsulfonylamino)-3-pyridinyl]acetamide (PubChem CID 177349144) has the molecular formula C22H27N7O3S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(piperidin-4-ylsulfonylamino)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(piperidin-4-ylsulfonylamino)-3-pyridinyl]acetamide
PubChem CID177349144
Molecular FormulaC22H27N7O3S
Molecular Weight469.57 g/mol
Exact Mass469.19
IUPAC NameN-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(piperidin-4-ylsulfonylamino)-3-pyridinyl]acetamide
SMILESNc1ncc(-c2ccc(CNC(=O)Cc3ccc(NS(=O)(=O)C4CCNCC4)nc3)cc2)[nH]1
InChIInChI=1S/C22H27N7O3S/c23-22-27-14-19(28-22)17-4-1-15(2-5-17)12-26-21(30)11-16-3-6-20(25-13-16)29-33(31,32)18-7-9-24-10-8-18/h1-6,13-14,18,24H,7-12H2,(H,25,29)(H,26,30)(H3,23,27,28)
InChIKeyNFHFGBRQKUVPRK-UHFFFAOYSA-N
XLogP1.41
TPSA154.89 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 51.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(piperidin-4-ylsulfonylamino)-3-pyridinyl]acetamide?
The IUPAC name of N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(piperidin-4-ylsulfonylamino)-3-pyridinyl]acetamide (CID 177349144) is N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(piperidin-4-ylsulfonylamino)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(piperidin-4-ylsulfonylamino)-3-pyridinyl]acetamide?
The canonical SMILES for N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(piperidin-4-ylsulfonylamino)-3-pyridinyl]acetamide is Nc1ncc(-c2ccc(CNC(=O)Cc3ccc(NS(=O)(=O)C4CCNCC4)nc3)cc2)[nH]1.
What is the InChIKey of N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(piperidin-4-ylsulfonylamino)-3-pyridinyl]acetamide?
The InChIKey is NFHFGBRQKUVPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3S/c23-22-27-14-19(28-22)17-4-1-15(2-5-17)12-26-21(30)11-16-3-6-20(25-13-16)29-33(31,32)18-7-9-24-10-8-18/h1-6,13-14,18,24H,7-12H2,(H,25,29)(H,26,30)(H3,23,27,28).
What are the key properties of N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(piperidin-4-ylsulfonylamino)-3-pyridinyl]acetamide?
N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(piperidin-4-ylsulfonylamino)-3-pyridinyl]acetamide has a molecular weight of 469.57 g/mol, XLogP of 1.41, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(piperidin-4-ylsulfonylamino)-3-pyridinyl]acetamide is sourced from PubChem (CID 177349144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).