N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C21H20N6O3S — CID 118193540

IUPACN-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCN(C)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)cn1
InChIInChI=1S/C21H20N6O3S/c1-26(2)19-8-6-18(13-24-19)31(29,30)17-5-4-16(23-12-17)11-25-21(28)15-3-7-20-22-9-10-27(20)14-15/h3-10,12-14H,11H2,1-2H3,(H,25,28)
InChIKeyCNPZEERMDBIOLD-UHFFFAOYSA-N
MW436.50 g/mol
LogP1.95
Rot. Bonds6

About N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118193540) has the molecular formula C21H20N6O3S and a molecular weight of 436.50 g/mol. Its IUPAC name is N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118193540
Molecular FormulaC21H20N6O3S
Molecular Weight436.50 g/mol
Exact Mass436.13
IUPAC NameN-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCN(C)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)cn1
InChIInChI=1S/C21H20N6O3S/c1-26(2)19-8-6-18(13-24-19)31(29,30)17-5-4-16(23-12-17)11-25-21(28)15-3-7-20-22-9-10-27(20)14-15/h3-10,12-14H,11H2,1-2H3,(H,25,28)
InChIKeyCNPZEERMDBIOLD-UHFFFAOYSA-N
XLogP1.95
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118193540) is N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is CN(C)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)cn1.
What is the InChIKey of N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is CNPZEERMDBIOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S/c1-26(2)19-8-6-18(13-24-19)31(29,30)17-5-4-16(23-12-17)11-25-21(28)15-3-7-20-22-9-10-27(20)14-15/h3-10,12-14H,11H2,1-2H3,(H,25,28).
What are the key properties of N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 436.50 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118193540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).