N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide

C18H24N4OS — CID 90779569

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide
SMILESCCN(CC)c1csc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12
InChIInChI=1S/C18H24N4OS/c1-3-22(4-2)16-10-24-17-9-19-15(8-12(16)17)18(23)21-14-7-11-5-6-13(14)20-11/h8-11,13-14,20H,3-7H2,1-2H3,(H,21,23)/t11-,13+,14-/m1/s1
InChIKeyPNFAJKLHQUVOMA-KWCYVHTRSA-N
MW344.48 g/mol
LogP2.77
Rot. Bonds5

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide (PubChem CID 90779569) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide
PubChem CID90779569
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide
SMILESCCN(CC)c1csc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12
InChIInChI=1S/C18H24N4OS/c1-3-22(4-2)16-10-24-17-9-19-15(8-12(16)17)18(23)21-14-7-11-5-6-13(14)20-11/h8-11,13-14,20H,3-7H2,1-2H3,(H,21,23)/t11-,13+,14-/m1/s1
InChIKeyPNFAJKLHQUVOMA-KWCYVHTRSA-N
XLogP2.77
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide (CID 90779569) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide is CCN(CC)c1csc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide?
The InChIKey is PNFAJKLHQUVOMA-KWCYVHTRSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-3-22(4-2)16-10-24-17-9-19-15(8-12(16)17)18(23)21-14-7-11-5-6-13(14)20-11/h8-11,13-14,20H,3-7H2,1-2H3,(H,21,23)/t11-,13+,14-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 90779569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).