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

C18H22N4OS — CID 22389351

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-2-(cyclopropylamino)thieno[3,2-c]pyridine-6-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1cc2sc(NC3CC3)cc2cn1
InChIInChI=1S/C18H22N4OS/c23-18(21-14-5-11-3-4-22(9-11)10-14)15-7-16-12(8-19-15)6-17(24-16)20-13-1-2-13/h6-8,11,13-14,20H,1-5,9-10H2,(H,21,23)
InChIKeyDPMMQPIOVMKRSW-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.69
Rot. Bonds4

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

N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(cyclopropylamino)thieno[3,2-c]pyridine-6-carboxamide (PubChem CID 22389351) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(cyclopropylamino)thieno[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-2-(cyclopropylamino)thieno[3,2-c]pyridine-6-carboxamide
PubChem CID22389351
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-2-(cyclopropylamino)thieno[3,2-c]pyridine-6-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1cc2sc(NC3CC3)cc2cn1
InChIInChI=1S/C18H22N4OS/c23-18(21-14-5-11-3-4-22(9-11)10-14)15-7-16-12(8-19-15)6-17(24-16)20-13-1-2-13/h6-8,11,13-14,20H,1-5,9-10H2,(H,21,23)
InChIKeyDPMMQPIOVMKRSW-UHFFFAOYSA-N
XLogP2.69
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(cyclopropylamino)thieno[3,2-c]pyridine-6-carboxamide with MolForge

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Related Compounds

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]-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-(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
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(benzenesulfonyl)thieno[3,2-c]pyridine-6-carboxamide
CID 66814772
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,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylfuro[3,2-c]pyridine-6-carboxamide
CID 66814738
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylsulfonylfuro[3,2-c]pyridine-6-carboxamide
CID 66814350
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide
CID 66814952
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide
CID 66814884

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(cyclopropylamino)thieno[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(cyclopropylamino)thieno[3,2-c]pyridine-6-carboxamide (CID 22389351) is N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(cyclopropylamino)thieno[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(cyclopropylamino)thieno[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(cyclopropylamino)thieno[3,2-c]pyridine-6-carboxamide is O=C(NC1CC2CCN(C2)C1)c1cc2sc(NC3CC3)cc2cn1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(cyclopropylamino)thieno[3,2-c]pyridine-6-carboxamide?
The InChIKey is DPMMQPIOVMKRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c23-18(21-14-5-11-3-4-22(9-11)10-14)15-7-16-12(8-19-15)6-17(24-16)20-13-1-2-13/h6-8,11,13-14,20H,1-5,9-10H2,(H,21,23).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(cyclopropylamino)thieno[3,2-c]pyridine-6-carboxamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(cyclopropylamino)thieno[3,2-c]pyridine-6-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 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)-2-(cyclopropylamino)thieno[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 22389351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).