N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(diethylamino)thieno[3,2-c]pyridine-6-carboxamide

C19H26N4OS — CID 66814922

IUPACN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(diethylamino)thieno[3,2-c]pyridine-6-carboxamide
SMILESCCN(CC)c1cc2cnc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)cc2s1
InChIInChI=1S/C19H26N4OS/c1-3-23(4-2)18-8-14-10-20-16(9-17(14)25-18)19(24)21-15-7-13-5-6-22(11-13)12-15/h8-10,13,15H,3-7,11-12H2,1-2H3,(H,21,24)/t13-,15+/m0/s1
InChIKeySNYIWXQVNLIKGV-DZGCQCFKSA-N
MW358.51 g/mol
LogP2.97
Rot. Bonds5

About N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(diethylamino)thieno[3,2-c]pyridine-6-carboxamide

N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(diethylamino)thieno[3,2-c]pyridine-6-carboxamide (PubChem CID 66814922) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(diethylamino)thieno[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(diethylamino)thieno[3,2-c]pyridine-6-carboxamide
PubChem CID66814922
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(diethylamino)thieno[3,2-c]pyridine-6-carboxamide
SMILESCCN(CC)c1cc2cnc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)cc2s1
InChIInChI=1S/C19H26N4OS/c1-3-23(4-2)18-8-14-10-20-16(9-17(14)25-18)19(24)21-15-7-13-5-6-22(11-13)12-15/h8-10,13,15H,3-7,11-12H2,1-2H3,(H,21,24)/t13-,15+/m0/s1
InChIKeySNYIWXQVNLIKGV-DZGCQCFKSA-N
XLogP2.97
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[acetyl(methyl)amino]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[3,2-c]pyridine-6-carboxamide
CID 66814918
N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(cyclopropylamino)thieno[3,2-c]pyridine-6-carboxamide
CID 22389351
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-prop-1-ynylthieno[3,2-c]pyridine-6-carboxamide
CID 66815162
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]-2-(azetidine-1-carbonyl)thieno[3,2-c]pyridine-6-carboxamide
CID 66814494
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-thiomorpholin-4-ylthieno[3,2-c]pyridine-6-carboxamide
CID 20806876
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(benzenesulfonyl)thieno[3,2-c]pyridine-6-carboxamide
CID 66814772
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylfuro[3,2-c]pyridine-6-carboxamide
CID 66814738
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide
CID 22389432
N-(1-azabicyclo[3.2.1]octan-3-yl)-[1,3]thiazolo[5,4-c]pyridine-6-carboxamide
CID 22591307
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide
CID 66815047
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylsulfonylfuro[3,2-c]pyridine-6-carboxamide
CID 66814350

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(diethylamino)thieno[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(diethylamino)thieno[3,2-c]pyridine-6-carboxamide (CID 66814922) is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(diethylamino)thieno[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(diethylamino)thieno[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(diethylamino)thieno[3,2-c]pyridine-6-carboxamide is CCN(CC)c1cc2cnc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)cc2s1.
What is the InChIKey of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(diethylamino)thieno[3,2-c]pyridine-6-carboxamide?
The InChIKey is SNYIWXQVNLIKGV-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-3-23(4-2)18-8-14-10-20-16(9-17(14)25-18)19(24)21-15-7-13-5-6-22(11-13)12-15/h8-10,13,15H,3-7,11-12H2,1-2H3,(H,21,24)/t13-,15+/m0/s1.
What are the key properties of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(diethylamino)thieno[3,2-c]pyridine-6-carboxamide?
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(diethylamino)thieno[3,2-c]pyridine-6-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(diethylamino)thieno[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 66814922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).