2-[3-(hydroxymethyl)phenyl]-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

C20H22N4O2S — CID 52946090

IUPAC2-[3-(hydroxymethyl)phenyl]-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cccc(CO)c3)sc12
InChIInChI=1S/C20H22N4O2S/c21-19(26)16-10-23-20(24-14-5-2-6-22-9-14)15-8-17(27-18(15)16)13-4-1-3-12(7-13)11-25/h1,3-4,7-8,10,14,22,25H,2,5-6,9,11H2,(H2,21,26)(H,23,24)/t14-/m0/s1
InChIKeyYNQHLQYVIDIBNI-AWEZNQCLSA-N
MW382.49 g/mol
LogP2.72
Rot. Bonds5

About 2-[3-(hydroxymethyl)phenyl]-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

2-[3-(hydroxymethyl)phenyl]-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 52946090) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenyl]-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenyl]-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID52946090
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-[3-(hydroxymethyl)phenyl]-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cccc(CO)c3)sc12
InChIInChI=1S/C20H22N4O2S/c21-19(26)16-10-23-20(24-14-5-2-6-22-9-14)15-8-17(27-18(15)16)13-4-1-3-12(7-13)11-25/h1,3-4,7-8,10,14,22,25H,2,5-6,9,11H2,(H2,21,26)(H,23,24)/t14-/m0/s1
InChIKeyYNQHLQYVIDIBNI-AWEZNQCLSA-N
XLogP2.72
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[3-(hydroxymethyl)phenyl]-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-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 2-[3-(hydroxymethyl)phenyl]-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-[3-(hydroxymethyl)phenyl]-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (CID 52946090) is 2-[3-(hydroxymethyl)phenyl]-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenyl]-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-[3-(hydroxymethyl)phenyl]-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cccc(CO)c3)sc12.
What is the InChIKey of 2-[3-(hydroxymethyl)phenyl]-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is YNQHLQYVIDIBNI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N4O2S/c21-19(26)16-10-23-20(24-14-5-2-6-22-9-14)15-8-17(27-18(15)16)13-4-1-3-12(7-13)11-25/h1,3-4,7-8,10,14,22,25H,2,5-6,9,11H2,(H2,21,26)(H,23,24)/t14-/m0/s1.
What are the key properties of 2-[3-(hydroxymethyl)phenyl]-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
2-[3-(hydroxymethyl)phenyl]-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 2.72, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenyl]-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 52946090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).