N-[[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C21H17N3O4S — CID 71727460

IUPACN-[[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)cn1
InChIInChI=1S/C21H17N3O4S/c1-14-2-5-18(12-23-14)29(26,27)17-6-3-15(4-7-17)11-24-21(25)19-10-16-8-9-22-13-20(16)28-19/h2-10,12-13H,11H2,1H3,(H,24,25)
InChIKeyHZPPXKHQSQRMEJ-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.29
Rot. Bonds5

About N-[[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71727460) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71727460
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC NameN-[[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)cn1
InChIInChI=1S/C21H17N3O4S/c1-14-2-5-18(12-23-14)29(26,27)17-6-3-15(4-7-17)11-24-21(25)19-10-16-8-9-22-13-20(16)28-19/h2-10,12-13H,11H2,1H3,(H,24,25)
InChIKeyHZPPXKHQSQRMEJ-UHFFFAOYSA-N
XLogP3.29
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71727460) is N-[[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is Cc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)cn1.
What is the InChIKey of N-[[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is HZPPXKHQSQRMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c1-14-2-5-18(12-23-14)29(26,27)17-6-3-15(4-7-17)11-24-21(25)19-10-16-8-9-22-13-20(16)28-19/h2-10,12-13H,11H2,1H3,(H,24,25).
What are the key properties of N-[[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71727460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).