4-[(3R)-3-aminopiperidin-1-yl]-2-(4-chlorophenyl)thieno[3,2-c]pyridine-7-carboxamide

C19H19ClN4OS — CID 52946170

IUPAC4-[(3R)-3-aminopiperidin-1-yl]-2-(4-chlorophenyl)thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N2CCC[C@@H](N)C2)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C19H19ClN4OS/c20-12-5-3-11(4-6-12)16-8-14-17(26-16)15(18(22)25)9-23-19(14)24-7-1-2-13(21)10-24/h3-6,8-9,13H,1-2,7,10,21H2,(H2,22,25)/t13-/m1/s1
InChIKeyGPRRTYRVLCGHPP-CYBMUJFWSA-N
MW386.91 g/mol
LogP3.64
Rot. Bonds3

About 4-[(3R)-3-aminopiperidin-1-yl]-2-(4-chlorophenyl)thieno[3,2-c]pyridine-7-carboxamide

4-[(3R)-3-aminopiperidin-1-yl]-2-(4-chlorophenyl)thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 52946170) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is 4-[(3R)-3-aminopiperidin-1-yl]-2-(4-chlorophenyl)thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-aminopiperidin-1-yl]-2-(4-chlorophenyl)thieno[3,2-c]pyridine-7-carboxamide
PubChem CID52946170
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name4-[(3R)-3-aminopiperidin-1-yl]-2-(4-chlorophenyl)thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N2CCC[C@@H](N)C2)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C19H19ClN4OS/c20-12-5-3-11(4-6-12)16-8-14-17(26-16)15(18(22)25)9-23-19(14)24-7-1-2-13(21)10-24/h3-6,8-9,13H,1-2,7,10,21H2,(H2,22,25)/t13-/m1/s1
InChIKeyGPRRTYRVLCGHPP-CYBMUJFWSA-N
XLogP3.64
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-2-(4-chlorophenyl)thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-2-(4-chlorophenyl)thieno[3,2-c]pyridine-7-carboxamide (CID 52946170) is 4-[(3R)-3-aminopiperidin-1-yl]-2-(4-chlorophenyl)thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-[(3R)-3-aminopiperidin-1-yl]-2-(4-chlorophenyl)thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-[(3R)-3-aminopiperidin-1-yl]-2-(4-chlorophenyl)thieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N2CCC[C@@H](N)C2)c2cc(-c3ccc(Cl)cc3)sc12.
What is the InChIKey of 4-[(3R)-3-aminopiperidin-1-yl]-2-(4-chlorophenyl)thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is GPRRTYRVLCGHPP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c20-12-5-3-11(4-6-12)16-8-14-17(26-16)15(18(22)25)9-23-19(14)24-7-1-2-13(21)10-24/h3-6,8-9,13H,1-2,7,10,21H2,(H2,22,25)/t13-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopiperidin-1-yl]-2-(4-chlorophenyl)thieno[3,2-c]pyridine-7-carboxamide?
4-[(3R)-3-aminopiperidin-1-yl]-2-(4-chlorophenyl)thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 386.91 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopiperidin-1-yl]-2-(4-chlorophenyl)thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 52946170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).