N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide

C15H16ClN3OS — CID 66814952

IUPACN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2c(Cl)csc2cn1
InChIInChI=1S/C15H16ClN3OS/c16-12-8-21-14-5-17-13(4-11(12)14)15(20)18-10-3-9-1-2-19(6-9)7-10/h4-5,8-10H,1-3,6-7H2,(H,18,20)/t9-,10+/m0/s1
InChIKeyZEDILXDTHOTBRH-VHSXEESVSA-N
MW321.83 g/mol
LogP2.77
Rot. Bonds2

About N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide

N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide (PubChem CID 66814952) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide
PubChem CID66814952
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2c(Cl)csc2cn1
InChIInChI=1S/C15H16ClN3OS/c16-12-8-21-14-5-17-13(4-11(12)14)15(20)18-10-3-9-1-2-19(6-9)7-10/h4-5,8-10H,1-3,6-7H2,(H,18,20)/t9-,10+/m0/s1
InChIKeyZEDILXDTHOTBRH-VHSXEESVSA-N
XLogP2.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide
CID 22389432
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-ethenylthieno[2,3-c]pyridine-5-carboxamide
CID 66814576
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(aziridine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide
CID 22389370
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-ethenylthieno[2,3-c]pyridine-5-carboxamide
CID 66814575
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide
CID 66815025
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(thiomorpholine-4-carbonyl)thieno[2,3-c]pyridine-5-carboxamide
CID 66814792
N-(1-azabicyclo[3.2.1]octan-3-yl)-[1,3]thiazolo[5,4-c]pyridine-6-carboxamide
CID 22591307
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-fluorofuro[2,3-c]pyridine-5-carboxamide
CID 66814299
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-bromofuro[2,3-c]pyridine-5-carboxamide
CID 66814602
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide
CID 66814653
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide
CID 66815047
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylfuro[3,2-c]pyridine-6-carboxamide
CID 66814738

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide (CID 66814952) is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide is O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2c(Cl)csc2cn1.
What is the InChIKey of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide?
The InChIKey is ZEDILXDTHOTBRH-VHSXEESVSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c16-12-8-21-14-5-17-13(4-11(12)14)15(20)18-10-3-9-1-2-19(6-9)7-10/h4-5,8-10H,1-3,6-7H2,(H,18,20)/t9-,10+/m0/s1.
What are the key properties of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide?
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide has a molecular weight of 321.83 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 66814952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).