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

C17H25N5OS — CID 23400928

IUPAC3-amino-6-(3-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCCCC(N)C2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C17H25N5OS/c1-2-5-10-8-12(22-7-4-3-6-11(18)9-22)21-17-13(10)14(19)15(24-17)16(20)23/h8,11H,2-7,9,18-19H2,1H3,(H2,20,23)
InChIKeyFMYBCSRZCAQSDT-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.25
Rot. Bonds4

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

3-amino-6-(3-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23400928) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 3-amino-6-(3-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23400928
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name3-amino-6-(3-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCCCC(N)C2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C17H25N5OS/c1-2-5-10-8-12(22-7-4-3-6-11(18)9-22)21-17-13(10)14(19)15(24-17)16(20)23/h8,11H,2-7,9,18-19H2,1H3,(H2,20,23)
InChIKeyFMYBCSRZCAQSDT-UHFFFAOYSA-N
XLogP2.25
TPSA111.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(3-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide (CID 23400928) is 3-amino-6-(3-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide is CCCc1cc(N2CCCCC(N)C2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-6-(3-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FMYBCSRZCAQSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-2-5-10-8-12(22-7-4-3-6-11(18)9-22)21-17-13(10)14(19)15(24-17)16(20)23/h8,11H,2-7,9,18-19H2,1H3,(H2,20,23).
What are the key properties of 3-amino-6-(3-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(3-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 347.49 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23400928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).