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

C19H20N4OS — CID 11842628

IUPAC2-phenyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccccc3)sc12
InChIInChI=1S/C19H20N4OS/c20-18(24)15-11-22-19(23-13-7-4-8-21-10-13)14-9-16(25-17(14)15)12-5-2-1-3-6-12/h1-3,5-6,9,11,13,21H,4,7-8,10H2,(H2,20,24)(H,22,23)/t13-/m0/s1
InChIKeyCXBCJDYMIUQXNZ-ZDUSSCGKSA-N
MW352.46 g/mol
LogP3.23
Rot. Bonds4

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

2-phenyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 11842628) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-phenyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-phenyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID11842628
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name2-phenyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccccc3)sc12
InChIInChI=1S/C19H20N4OS/c20-18(24)15-11-22-19(23-13-7-4-8-21-10-13)14-9-16(25-17(14)15)12-5-2-1-3-6-12/h1-3,5-6,9,11,13,21H,4,7-8,10H2,(H2,20,24)(H,22,23)/t13-/m0/s1
InChIKeyCXBCJDYMIUQXNZ-ZDUSSCGKSA-N
XLogP3.23
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-phenyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (CID 11842628) is 2-phenyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-phenyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-phenyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccccc3)sc12.
What is the InChIKey of 2-phenyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is CXBCJDYMIUQXNZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4OS/c20-18(24)15-11-22-19(23-13-7-4-8-21-10-13)14-9-16(25-17(14)15)12-5-2-1-3-6-12/h1-3,5-6,9,11,13,21H,4,7-8,10H2,(H2,20,24)(H,22,23)/t13-/m0/s1.
What are the key properties of 2-phenyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
2-phenyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 11842628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).