N-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C24H24N6O4S — CID 71696721

IUPACN-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(S(=O)(=O)c3ccc(CNC(=O)c4cc5ccncc5o4)nc3)cn2)CC1
InChIInChI=1S/C24H24N6O4S/c1-29-8-10-30(11-9-29)23-5-4-20(15-27-23)35(32,33)19-3-2-18(26-14-19)13-28-24(31)21-12-17-6-7-25-16-22(17)34-21/h2-7,12,14-16H,8-11,13H2,1H3,(H,28,31)
InChIKeyUBANMSISCVSGCM-UHFFFAOYSA-N
MW492.56 g/mol
LogP2.13
Rot. Bonds6

About N-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71696721) has the molecular formula C24H24N6O4S and a molecular weight of 492.56 g/mol. Its IUPAC name is N-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71696721
Molecular FormulaC24H24N6O4S
Molecular Weight492.56 g/mol
Exact Mass492.16
IUPAC NameN-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(S(=O)(=O)c3ccc(CNC(=O)c4cc5ccncc5o4)nc3)cn2)CC1
InChIInChI=1S/C24H24N6O4S/c1-29-8-10-30(11-9-29)23-5-4-20(15-27-23)35(32,33)19-3-2-18(26-14-19)13-28-24(31)21-12-17-6-7-25-16-22(17)34-21/h2-7,12,14-16H,8-11,13H2,1H3,(H,28,31)
InChIKeyUBANMSISCVSGCM-UHFFFAOYSA-N
XLogP2.13
TPSA121.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71696721) is N-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide is CN1CCN(c2ccc(S(=O)(=O)c3ccc(CNC(=O)c4cc5ccncc5o4)nc3)cn2)CC1.
What is the InChIKey of N-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is UBANMSISCVSGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4S/c1-29-8-10-30(11-9-29)23-5-4-20(15-27-23)35(32,33)19-3-2-18(26-14-19)13-28-24(31)21-12-17-6-7-25-16-22(17)34-21/h2-7,12,14-16H,8-11,13H2,1H3,(H,28,31).
What are the key properties of N-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 492.56 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71696721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).