N-(1-azabicyclo[3.2.1]octan-3-yl)-4-methoxythieno[3,2-c]pyridine-6-carboxamide

C16H19N3O2S — CID 22389297

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-4-methoxythieno[3,2-c]pyridine-6-carboxamide
SMILESCOc1nc(C(=O)NC2CC3CCN(C3)C2)cc2sccc12
InChIInChI=1S/C16H19N3O2S/c1-21-16-12-3-5-22-14(12)7-13(18-16)15(20)17-11-6-10-2-4-19(8-10)9-11/h3,5,7,10-11H,2,4,6,8-9H2,1H3,(H,17,20)
InChIKeyMYMRUXISGMLQAH-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.13
Rot. Bonds3

About N-(1-azabicyclo[3.2.1]octan-3-yl)-4-methoxythieno[3,2-c]pyridine-6-carboxamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-4-methoxythieno[3,2-c]pyridine-6-carboxamide (PubChem CID 22389297) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-4-methoxythieno[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-4-methoxythieno[3,2-c]pyridine-6-carboxamide
PubChem CID22389297
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-4-methoxythieno[3,2-c]pyridine-6-carboxamide
SMILESCOc1nc(C(=O)NC2CC3CCN(C3)C2)cc2sccc12
InChIInChI=1S/C16H19N3O2S/c1-21-16-12-3-5-22-14(12)7-13(18-16)15(20)17-11-6-10-2-4-19(8-10)9-11/h3,5,7,10-11H,2,4,6,8-9H2,1H3,(H,17,20)
InChIKeyMYMRUXISGMLQAH-UHFFFAOYSA-N
XLogP2.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-azabicyclo[3.2.1]octan-3-yl)thieno[2,3-b]pyridine-6-carboxamide
CID 22389175
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,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide
CID 66814952
N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide
CID 22481698
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(aziridine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide
CID 22389370
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,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide
CID 87940296
N-(1-azabicyclo[3.2.1]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide
CID 22389458
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(diethylamino)thieno[3,2-c]pyridine-6-carboxamide
CID 66814922
2-[acetyl(methyl)amino]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[3,2-c]pyridine-6-carboxamide
CID 66814918

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-methoxythieno[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-methoxythieno[3,2-c]pyridine-6-carboxamide (CID 22389297) is N-(1-azabicyclo[3.2.1]octan-3-yl)-4-methoxythieno[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-4-methoxythieno[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-4-methoxythieno[3,2-c]pyridine-6-carboxamide is COc1nc(C(=O)NC2CC3CCN(C3)C2)cc2sccc12.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-methoxythieno[3,2-c]pyridine-6-carboxamide?
The InChIKey is MYMRUXISGMLQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-21-16-12-3-5-22-14(12)7-13(18-16)15(20)17-11-6-10-2-4-19(8-10)9-11/h3,5,7,10-11H,2,4,6,8-9H2,1H3,(H,17,20).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-methoxythieno[3,2-c]pyridine-6-carboxamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-methoxythieno[3,2-c]pyridine-6-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-4-methoxythieno[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 22389297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).