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

C20H22N4OS — CID 11951728

IUPAC4-[methyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
SMILESCN(c1ncc(C(N)=O)c2sc(-c3ccccc3)cc12)[C@H]1CCCNC1
InChIInChI=1S/C20H22N4OS/c1-24(14-8-5-9-22-11-14)20-15-10-17(13-6-3-2-4-7-13)26-18(15)16(12-23-20)19(21)25/h2-4,6-7,10,12,14,22H,5,8-9,11H2,1H3,(H2,21,25)/t14-/m0/s1
InChIKeyQTKQQSVCNOBUED-AWEZNQCLSA-N
MW366.49 g/mol
LogP3.25
Rot. Bonds4

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

4-[methyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide (PubChem CID 11951728) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-[methyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-[methyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
PubChem CID11951728
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name4-[methyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
SMILESCN(c1ncc(C(N)=O)c2sc(-c3ccccc3)cc12)[C@H]1CCCNC1
InChIInChI=1S/C20H22N4OS/c1-24(14-8-5-9-22-11-14)20-15-10-17(13-6-3-2-4-7-13)26-18(15)16(12-23-20)19(21)25/h2-4,6-7,10,12,14,22H,5,8-9,11H2,1H3,(H2,21,25)/t14-/m0/s1
InChIKeyQTKQQSVCNOBUED-AWEZNQCLSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-[methyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide (CID 11951728) is 4-[methyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-[methyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-[methyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide is CN(c1ncc(C(N)=O)c2sc(-c3ccccc3)cc12)[C@H]1CCCNC1.
What is the InChIKey of 4-[methyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is QTKQQSVCNOBUED-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-24(14-8-5-9-22-11-14)20-15-10-17(13-6-3-2-4-7-13)26-18(15)16(12-23-20)19(21)25/h2-4,6-7,10,12,14,22H,5,8-9,11H2,1H3,(H2,21,25)/t14-/m0/s1.
What are the key properties of 4-[methyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
4-[methyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 11951728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).