formic acid;3-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

C17H18N4O5S — CID 163333624

IUPACformic acid;3-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)nc2ccccn12.O=CO
InChIInChI=1S/C16H16N4O3S.CH2O2/c1-11-15(19-14-4-2-3-9-20(11)14)16(21)18-10-12-5-7-13(8-6-12)24(17,22)23;2-1-3/h2-9H,10H2,1H3,(H,18,21)(H2,17,22,23);1H,(H,2,3)
InChIKeyCSKWMXGRWGEUKF-UHFFFAOYSA-N
MW390.42 g/mol
LogP0.92
Rot. Bonds4

About formic acid;3-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

formic acid;3-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 163333624) has the molecular formula C17H18N4O5S and a molecular weight of 390.42 g/mol. Its IUPAC name is formic acid;3-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Nameformic acid;3-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID163333624
Molecular FormulaC17H18N4O5S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC Nameformic acid;3-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)nc2ccccn12.O=CO
InChIInChI=1S/C16H16N4O3S.CH2O2/c1-11-15(19-14-4-2-3-9-20(11)14)16(21)18-10-12-5-7-13(8-6-12)24(17,22)23;2-1-3/h2-9H,10H2,1H3,(H,18,21)(H2,17,22,23);1H,(H,2,3)
InChIKeyCSKWMXGRWGEUKF-UHFFFAOYSA-N
XLogP0.92
TPSA143.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]phthalazine-1-carboxamide
CID 3682104
2-hydroxy-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681058
N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide
CID 4785409
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-3-carboxamide
CID 16866372
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876
2-amino-1-(3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 84661951
1-(3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 84654901
2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1212425
N-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
CID 110773672
4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide
CID 65354656
1-benzyl-2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
CID 75511767

Frequently Asked Questions

What is the IUPAC name of formic acid;3-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of formic acid;3-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 163333624) is formic acid;3-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for formic acid;3-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for formic acid;3-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide is Cc1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)nc2ccccn12.O=CO.
What is the InChIKey of formic acid;3-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is CSKWMXGRWGEUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S.CH2O2/c1-11-15(19-14-4-2-3-9-20(11)14)16(21)18-10-12-5-7-13(8-6-12)24(17,22)23;2-1-3/h2-9H,10H2,1H3,(H,18,21)(H2,17,22,23);1H,(H,2,3).
What are the key properties of formic acid;3-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
formic acid;3-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 163333624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).