4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

C16H18N4O2S — CID 133442603

IUPAC4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCN(c3ccncc3C(N)=O)CC2)s1
InChIInChI=1S/C16H18N4O2S/c1-11-2-3-14(23-11)16(22)20-8-6-19(7-9-20)13-4-5-18-10-12(13)15(17)21/h2-5,10H,6-9H2,1H3,(H2,17,21)
InChIKeyDWATYJSCNXQNMI-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.51
Rot. Bonds3

About 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 133442603) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID133442603
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCN(c3ccncc3C(N)=O)CC2)s1
InChIInChI=1S/C16H18N4O2S/c1-11-2-3-14(23-11)16(22)20-8-6-19(7-9-20)13-4-5-18-10-12(13)15(17)21/h2-5,10H,6-9H2,1H3,(H2,17,21)
InChIKeyDWATYJSCNXQNMI-UHFFFAOYSA-N
XLogP1.51
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (CID 133442603) is 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)N2CCN(c3ccncc3C(N)=O)CC2)s1.
What is the InChIKey of 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is DWATYJSCNXQNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-11-2-3-14(23-11)16(22)20-8-6-19(7-9-20)13-4-5-18-10-12(13)15(17)21/h2-5,10H,6-9H2,1H3,(H2,17,21).
What are the key properties of 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133442603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).