3-amino-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide

C18H20N6OS — CID 134168341

IUPAC3-amino-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1cccc(N2CCN(c3cncc4sc(C(N)=O)c(N)c34)CC2)n1
InChIInChI=1S/C18H20N6OS/c1-11-3-2-4-14(22-11)24-7-5-23(6-8-24)12-9-21-10-13-15(12)16(19)17(26-13)18(20)25/h2-4,9-10H,5-8,19H2,1H3,(H2,20,25)
InChIKeyVYWMMBJBZYIMKF-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.01
Rot. Bonds3

About 3-amino-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide

3-amino-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 134168341) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 3-amino-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID134168341
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name3-amino-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1cccc(N2CCN(c3cncc4sc(C(N)=O)c(N)c34)CC2)n1
InChIInChI=1S/C18H20N6OS/c1-11-3-2-4-14(22-11)24-7-5-23(6-8-24)12-9-21-10-13-15(12)16(19)17(26-13)18(20)25/h2-4,9-10H,5-8,19H2,1H3,(H2,20,25)
InChIKeyVYWMMBJBZYIMKF-UHFFFAOYSA-N
XLogP2.01
TPSA101.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide (CID 134168341) is 3-amino-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide is Cc1cccc(N2CCN(c3cncc4sc(C(N)=O)c(N)c34)CC2)n1.
What is the InChIKey of 3-amino-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is VYWMMBJBZYIMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-11-3-2-4-14(22-11)24-7-5-23(6-8-24)12-9-21-10-13-15(12)16(19)17(26-13)18(20)25/h2-4,9-10H,5-8,19H2,1H3,(H2,20,25).
What are the key properties of 3-amino-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
3-amino-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 134168341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).