N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-chloroindazol-1-yl)propanamide

C17H21ClN4O — CID 91948691

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-chloroindazol-1-yl)propanamide
SMILESO=C(CCn1ncc2ccc(Cl)cc21)NC1CN2CCC1CC2
InChIInChI=1S/C17H21ClN4O/c18-14-2-1-13-10-19-22(16(13)9-14)8-5-17(23)20-15-11-21-6-3-12(15)4-7-21/h1-2,9-10,12,15H,3-8,11H2,(H,20,23)
InChIKeyYQHBJCBOGNKKTF-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.29
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-chloroindazol-1-yl)propanamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-chloroindazol-1-yl)propanamide (PubChem CID 91948691) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-chloroindazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-chloroindazol-1-yl)propanamide
PubChem CID91948691
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-chloroindazol-1-yl)propanamide
SMILESO=C(CCn1ncc2ccc(Cl)cc21)NC1CN2CCC1CC2
InChIInChI=1S/C17H21ClN4O/c18-14-2-1-13-10-19-22(16(13)9-14)8-5-17(23)20-15-11-21-6-3-12(15)4-7-21/h1-2,9-10,12,15H,3-8,11H2,(H,20,23)
InChIKeyYQHBJCBOGNKKTF-UHFFFAOYSA-N
XLogP2.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 22510003
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CID 4286317
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)propanamide
CID 16794770
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3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
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N-(1-azabicyclo[2.2.2]octan-3-yl)-2-bromo-4-chlorobenzamide
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N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-fluoropyridine-2-carboxamide
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CID 75767369
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide
CID 91948684
3-(6-chloroindazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 75538332
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-chlorophenyl)urea
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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-chloroindazol-1-yl)propanamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-chloroindazol-1-yl)propanamide (CID 91948691) is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-chloroindazol-1-yl)propanamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-chloroindazol-1-yl)propanamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-chloroindazol-1-yl)propanamide is O=C(CCn1ncc2ccc(Cl)cc21)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-chloroindazol-1-yl)propanamide?
The InChIKey is YQHBJCBOGNKKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c18-14-2-1-13-10-19-22(16(13)9-14)8-5-17(23)20-15-11-21-6-3-12(15)4-7-21/h1-2,9-10,12,15H,3-8,11H2,(H,20,23).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-chloroindazol-1-yl)propanamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-chloroindazol-1-yl)propanamide has a molecular weight of 332.83 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-chloroindazol-1-yl)propanamide is sourced from PubChem (CID 91948691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).