3-amino-6-(4-carbamoylpiperazin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide

C16H22N6O2S — CID 23400995

IUPAC3-amino-6-(4-carbamoylpiperazin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCN(C(N)=O)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C16H22N6O2S/c1-2-3-9-8-10(21-4-6-22(7-5-21)16(19)24)20-15-11(9)12(17)13(25-15)14(18)23/h8H,2-7,17H2,1H3,(H2,18,23)(H2,19,24)
InChIKeyHPKPLYYIBHMYBD-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.13
Rot. Bonds4

About 3-amino-6-(4-carbamoylpiperazin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide

3-amino-6-(4-carbamoylpiperazin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23400995) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-amino-6-(4-carbamoylpiperazin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-carbamoylpiperazin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23400995
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC Name3-amino-6-(4-carbamoylpiperazin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCN(C(N)=O)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C16H22N6O2S/c1-2-3-9-8-10(21-4-6-22(7-5-21)16(19)24)20-15-11(9)12(17)13(25-15)14(18)23/h8H,2-7,17H2,1H3,(H2,18,23)(H2,19,24)
InChIKeyHPKPLYYIBHMYBD-UHFFFAOYSA-N
XLogP1.13
TPSA131.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-carbamoylpiperazin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-carbamoylpiperazin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide (CID 23400995) is 3-amino-6-(4-carbamoylpiperazin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-carbamoylpiperazin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-carbamoylpiperazin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide is CCCc1cc(N2CCN(C(N)=O)CC2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-6-(4-carbamoylpiperazin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HPKPLYYIBHMYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-2-3-9-8-10(21-4-6-22(7-5-21)16(19)24)20-15-11(9)12(17)13(25-15)14(18)23/h8H,2-7,17H2,1H3,(H2,18,23)(H2,19,24).
What are the key properties of 3-amino-6-(4-carbamoylpiperazin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(4-carbamoylpiperazin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-carbamoylpiperazin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23400995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).