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

C18H27N5OS — CID 45485796

IUPAC3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCC(N(C)C)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C18H27N5OS/c1-4-5-11-10-13(23-8-6-12(7-9-23)22(2)3)21-18-14(11)15(19)16(25-18)17(20)24/h10,12H,4-9,19H2,1-3H3,(H2,20,24)
InChIKeyLEYKXJUYOZOHRU-UHFFFAOYSA-N
MW361.52 g/mol
LogP2.46
Rot. Bonds5

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

3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 45485796) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID45485796
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC Name3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCC(N(C)C)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C18H27N5OS/c1-4-5-11-10-13(23-8-6-12(7-9-23)22(2)3)21-18-14(11)15(19)16(25-18)17(20)24/h10,12H,4-9,19H2,1-3H3,(H2,20,24)
InChIKeyLEYKXJUYOZOHRU-UHFFFAOYSA-N
XLogP2.46
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide (CID 45485796) is 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide is CCCc1cc(N2CCC(N(C)C)CC2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LEYKXJUYOZOHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-4-5-11-10-13(23-8-6-12(7-9-23)22(2)3)21-18-14(11)15(19)16(25-18)17(20)24/h10,12H,4-9,19H2,1-3H3,(H2,20,24).
What are the key properties of 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 361.52 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 45485796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).