N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]thieno[3,2-b]pyridine-3-carboxamide

C23H23N5OS — CID 58056138

IUPACN-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]thieno[3,2-b]pyridine-3-carboxamide
SMILESNCC1CCN(c2cc3ncccc3cc2NC(=O)c2csc3cccnc23)CC1
InChIInChI=1S/C23H23N5OS/c24-13-15-5-9-28(10-6-15)20-12-18-16(3-1-7-25-18)11-19(20)27-23(29)17-14-30-21-4-2-8-26-22(17)21/h1-4,7-8,11-12,14-15H,5-6,9-10,13,24H2,(H,27,29)
InChIKeyFGOGKRARVBRJFN-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.27
Rot. Bonds4

About N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]thieno[3,2-b]pyridine-3-carboxamide

N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 58056138) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]thieno[3,2-b]pyridine-3-carboxamide
PubChem CID58056138
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC NameN-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]thieno[3,2-b]pyridine-3-carboxamide
SMILESNCC1CCN(c2cc3ncccc3cc2NC(=O)c2csc3cccnc23)CC1
InChIInChI=1S/C23H23N5OS/c24-13-15-5-9-28(10-6-15)20-12-18-16(3-1-7-25-18)11-19(20)27-23(29)17-14-30-21-4-2-8-26-22(17)21/h1-4,7-8,11-12,14-15H,5-6,9-10,13,24H2,(H,27,29)
InChIKeyFGOGKRARVBRJFN-UHFFFAOYSA-N
XLogP4.27
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]thieno[3,2-b]pyridine-3-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 N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]thieno[3,2-b]pyridine-3-carboxamide (CID 58056138) is N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]thieno[3,2-b]pyridine-3-carboxamide is NCC1CCN(c2cc3ncccc3cc2NC(=O)c2csc3cccnc23)CC1.
What is the InChIKey of N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is FGOGKRARVBRJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c24-13-15-5-9-28(10-6-15)20-12-18-16(3-1-7-25-18)11-19(20)27-23(29)17-14-30-21-4-2-8-26-22(17)21/h1-4,7-8,11-12,14-15H,5-6,9-10,13,24H2,(H,27,29).
What are the key properties of N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]thieno[3,2-b]pyridine-3-carboxamide?
N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 417.54 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 58056138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).