N-[4-(furan-2-yl)-5-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

C24H22N6O3S — CID 23144333

IUPACN-[4-(furan-2-yl)-5-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCN1CCN(c2ccc(C(=O)c3sc(NC(=O)c4ccncc4)nc3-c3ccco3)cn2)CC1
InChIInChI=1S/C24H22N6O3S/c1-29-10-12-30(13-11-29)19-5-4-17(15-26-19)21(31)22-20(18-3-2-14-33-18)27-24(34-22)28-23(32)16-6-8-25-9-7-16/h2-9,14-15H,10-13H2,1H3,(H,27,28,32)
InChIKeyZTUAYZVJQYCMFC-UHFFFAOYSA-N
MW474.55 g/mol
LogP3.43
Rot. Bonds6

About N-[4-(furan-2-yl)-5-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-(furan-2-yl)-5-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 23144333) has the molecular formula C24H22N6O3S and a molecular weight of 474.55 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID23144333
Molecular FormulaC24H22N6O3S
Molecular Weight474.55 g/mol
Exact Mass474.15
IUPAC NameN-[4-(furan-2-yl)-5-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCN1CCN(c2ccc(C(=O)c3sc(NC(=O)c4ccncc4)nc3-c3ccco3)cn2)CC1
InChIInChI=1S/C24H22N6O3S/c1-29-10-12-30(13-11-29)19-5-4-17(15-26-19)21(31)22-20(18-3-2-14-33-18)27-24(34-22)28-23(32)16-6-8-25-9-7-16/h2-9,14-15H,10-13H2,1H3,(H,27,28,32)
InChIKeyZTUAYZVJQYCMFC-UHFFFAOYSA-N
XLogP3.43
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 23144333) is N-[4-(furan-2-yl)-5-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is CN1CCN(c2ccc(C(=O)c3sc(NC(=O)c4ccncc4)nc3-c3ccco3)cn2)CC1.
What is the InChIKey of N-[4-(furan-2-yl)-5-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is ZTUAYZVJQYCMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3S/c1-29-10-12-30(13-11-29)19-5-4-17(15-26-19)21(31)22-20(18-3-2-14-33-18)27-24(34-22)28-23(32)16-6-8-25-9-7-16/h2-9,14-15H,10-13H2,1H3,(H,27,28,32).
What are the key properties of N-[4-(furan-2-yl)-5-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-(furan-2-yl)-5-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 474.55 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 23144333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).