4-amino-5-cyano-6-ethoxy-N-[(2-sulfamoylphenyl)methyl]pyridine-2-carboxamide

C16H17N5O4S — CID 11846125

IUPAC4-amino-5-cyano-6-ethoxy-N-[(2-sulfamoylphenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2ccccc2S(N)(=O)=O)cc(N)c1C#N
InChIInChI=1S/C16H17N5O4S/c1-2-25-16-11(8-17)12(18)7-13(21-16)15(22)20-9-10-5-3-4-6-14(10)26(19,23)24/h3-7H,2,9H2,1H3,(H2,18,21)(H,20,22)(H2,19,23,24)
InChIKeyFTIAKTLRFKSDFR-UHFFFAOYSA-N
MW375.41 g/mol
LogP0.51
Rot. Bonds6

About 4-amino-5-cyano-6-ethoxy-N-[(2-sulfamoylphenyl)methyl]pyridine-2-carboxamide

4-amino-5-cyano-6-ethoxy-N-[(2-sulfamoylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 11846125) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is 4-amino-5-cyano-6-ethoxy-N-[(2-sulfamoylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-6-ethoxy-N-[(2-sulfamoylphenyl)methyl]pyridine-2-carboxamide
PubChem CID11846125
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC Name4-amino-5-cyano-6-ethoxy-N-[(2-sulfamoylphenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2ccccc2S(N)(=O)=O)cc(N)c1C#N
InChIInChI=1S/C16H17N5O4S/c1-2-25-16-11(8-17)12(18)7-13(21-16)15(22)20-9-10-5-3-4-6-14(10)26(19,23)24/h3-7H,2,9H2,1H3,(H2,18,21)(H,20,22)(H2,19,23,24)
InChIKeyFTIAKTLRFKSDFR-UHFFFAOYSA-N
XLogP0.51
TPSA161.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[(2-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[(2-sulfamoylphenyl)methyl]pyridine-2-carboxamide (CID 11846125) is 4-amino-5-cyano-6-ethoxy-N-[(2-sulfamoylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-6-ethoxy-N-[(2-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-5-cyano-6-ethoxy-N-[(2-sulfamoylphenyl)methyl]pyridine-2-carboxamide is CCOc1nc(C(=O)NCc2ccccc2S(N)(=O)=O)cc(N)c1C#N.
What is the InChIKey of 4-amino-5-cyano-6-ethoxy-N-[(2-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is FTIAKTLRFKSDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c1-2-25-16-11(8-17)12(18)7-13(21-16)15(22)20-9-10-5-3-4-6-14(10)26(19,23)24/h3-7H,2,9H2,1H3,(H2,18,21)(H,20,22)(H2,19,23,24).
What are the key properties of 4-amino-5-cyano-6-ethoxy-N-[(2-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
4-amino-5-cyano-6-ethoxy-N-[(2-sulfamoylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-6-ethoxy-N-[(2-sulfamoylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 11846125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).