N-(2-methoxyethyl)-3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide

C12H20N4O4S — CID 134078502

IUPACN-(2-methoxyethyl)-3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCOCCNC(=O)C1c2c(ncn2C)CCN1S(C)(=O)=O
InChIInChI=1S/C12H20N4O4S/c1-15-8-14-9-4-6-16(21(3,18)19)11(10(9)15)12(17)13-5-7-20-2/h8,11H,4-7H2,1-3H3,(H,13,17)
InChIKeyCOKPEQLJYNOSDR-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.96
Rot. Bonds5

About N-(2-methoxyethyl)-3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide

N-(2-methoxyethyl)-3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 134078502) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID134078502
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC NameN-(2-methoxyethyl)-3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCOCCNC(=O)C1c2c(ncn2C)CCN1S(C)(=O)=O
InChIInChI=1S/C12H20N4O4S/c1-15-8-14-9-4-6-16(21(3,18)19)11(10(9)15)12(17)13-5-7-20-2/h8,11H,4-7H2,1-3H3,(H,13,17)
InChIKeyCOKPEQLJYNOSDR-UHFFFAOYSA-N
XLogP-0.96
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (CID 134078502) is N-(2-methoxyethyl)-3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is COCCNC(=O)C1c2c(ncn2C)CCN1S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is COKPEQLJYNOSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-15-8-14-9-4-6-16(21(3,18)19)11(10(9)15)12(17)13-5-7-20-2/h8,11H,4-7H2,1-3H3,(H,13,17).
What are the key properties of N-(2-methoxyethyl)-3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
N-(2-methoxyethyl)-3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 316.38 g/mol, XLogP of -0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 134078502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).