4-[[(3S)-1-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide

C20H22N4OS — CID 69011075

IUPAC4-[[(3S)-1-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
SMILESCN1CCC[C@H](Nc2ncc(C(N)=O)c3sc(-c4ccccc4)cc23)C1
InChIInChI=1S/C20H22N4OS/c1-24-9-5-8-14(12-24)23-20-15-10-17(13-6-3-2-4-7-13)26-18(15)16(11-22-20)19(21)25/h2-4,6-7,10-11,14H,5,8-9,12H2,1H3,(H2,21,25)(H,22,23)/t14-/m0/s1
InChIKeyBIGXCSHANCZTFX-AWEZNQCLSA-N
MW366.49 g/mol
LogP3.57
Rot. Bonds4

About 4-[[(3S)-1-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide

4-[[(3S)-1-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide (PubChem CID 69011075) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-[[(3S)-1-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-[[(3S)-1-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
PubChem CID69011075
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name4-[[(3S)-1-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
SMILESCN1CCC[C@H](Nc2ncc(C(N)=O)c3sc(-c4ccccc4)cc23)C1
InChIInChI=1S/C20H22N4OS/c1-24-9-5-8-14(12-24)23-20-15-10-17(13-6-3-2-4-7-13)26-18(15)16(11-22-20)19(21)25/h2-4,6-7,10-11,14H,5,8-9,12H2,1H3,(H2,21,25)(H,22,23)/t14-/m0/s1
InChIKeyBIGXCSHANCZTFX-AWEZNQCLSA-N
XLogP3.57
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-[[(3S)-1-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide (CID 69011075) is 4-[[(3S)-1-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-[[(3S)-1-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-[[(3S)-1-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide is CN1CCC[C@H](Nc2ncc(C(N)=O)c3sc(-c4ccccc4)cc23)C1.
What is the InChIKey of 4-[[(3S)-1-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is BIGXCSHANCZTFX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-24-9-5-8-14(12-24)23-20-15-10-17(13-6-3-2-4-7-13)26-18(15)16(11-22-20)19(21)25/h2-4,6-7,10-11,14H,5,8-9,12H2,1H3,(H2,21,25)(H,22,23)/t14-/m0/s1.
What are the key properties of 4-[[(3S)-1-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
4-[[(3S)-1-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 69011075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).