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

C16H23N5OS — CID 23400922

IUPAC3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCCNCC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C16H23N5OS/c1-2-4-10-9-11(21-7-3-5-19-6-8-21)20-16-12(10)13(17)14(23-16)15(18)22/h9,19H,2-8,17H2,1H3,(H2,18,22)
InChIKeyDYCNTFOXYSCURR-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.73
Rot. Bonds4

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

3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23400922) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23400922
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCCNCC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C16H23N5OS/c1-2-4-10-9-11(21-7-3-5-19-6-8-21)20-16-12(10)13(17)14(23-16)15(18)22/h9,19H,2-8,17H2,1H3,(H2,18,22)
InChIKeyDYCNTFOXYSCURR-UHFFFAOYSA-N
XLogP1.73
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide (CID 23400922) is 3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide is CCCc1cc(N2CCCNCC2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is DYCNTFOXYSCURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-2-4-10-9-11(21-7-3-5-19-6-8-21)20-16-12(10)13(17)14(23-16)15(18)22/h9,19H,2-8,17H2,1H3,(H2,18,22).
What are the key properties of 3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23400922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).