N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide

C18H24N4OS — CID 4654595

IUPACN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C18H24N4OS/c1-14(20-18(23)15-5-3-7-19-13-15)17(16-6-4-12-24-16)22-10-8-21(2)9-11-22/h3-7,12-14,17H,8-11H2,1-2H3,(H,20,23)
InChIKeyQXHRALVHENFARW-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.25
Rot. Bonds5

About N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide

N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide (PubChem CID 4654595) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide
PubChem CID4654595
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C18H24N4OS/c1-14(20-18(23)15-5-3-7-19-13-15)17(16-6-4-12-24-16)22-10-8-21(2)9-11-22/h3-7,12-14,17H,8-11H2,1-2H3,(H,20,23)
InChIKeyQXHRALVHENFARW-UHFFFAOYSA-N
XLogP2.25
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide (CID 4654595) is N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide is CC(NC(=O)c1cccnc1)C(c1cccs1)N1CCN(C)CC1.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide?
The InChIKey is QXHRALVHENFARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-14(20-18(23)15-5-3-7-19-13-15)17(16-6-4-12-24-16)22-10-8-21(2)9-11-22/h3-7,12-14,17H,8-11H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide?
N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 4654595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).