3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide

C16H20N4OS — CID 47038330

IUPAC3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1
InChIInChI=1S/C16H20N4OS/c1-12-5-10-22-15(12)16(21)18-14-4-3-13(11-17-14)20-8-6-19(2)7-9-20/h3-5,10-11H,6-9H2,1-2H3,(H,17,18,21)
InChIKeyMYZGUQULMCDJTH-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.46
Rot. Bonds3

About 3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide

3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 47038330) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide
PubChem CID47038330
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1
InChIInChI=1S/C16H20N4OS/c1-12-5-10-22-15(12)16(21)18-14-4-3-13(11-17-14)20-8-6-19(2)7-9-20/h3-5,10-11H,6-9H2,1-2H3,(H,17,18,21)
InChIKeyMYZGUQULMCDJTH-UHFFFAOYSA-N
XLogP2.46
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide (CID 47038330) is 3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1.
What is the InChIKey of 3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is MYZGUQULMCDJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-12-5-10-22-15(12)16(21)18-14-4-3-13(11-17-14)20-8-6-19(2)7-9-20/h3-5,10-11H,6-9H2,1-2H3,(H,17,18,21).
What are the key properties of 3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide?
3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 47038330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).