N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide

C15H22N4O — CID 62167440

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C15H22N4O/c1-2-16-14-12(4-3-7-17-14)15(20)18-13-10-19-8-5-11(13)6-9-19/h3-4,7,11,13H,2,5-6,8-10H2,1H3,(H,16,17)(H,18,20)
InChIKeyMXUGRLVXTYEGHA-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.34
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide (PubChem CID 62167440) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide
PubChem CID62167440
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C15H22N4O/c1-2-16-14-12(4-3-7-17-14)15(20)18-13-10-19-8-5-11(13)6-9-19/h3-4,7,11,13H,2,5-6,8-10H2,1H3,(H,16,17)(H,18,20)
InChIKeyMXUGRLVXTYEGHA-UHFFFAOYSA-N
XLogP1.34
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide
CID 69380368
2-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82737205
N-(1-cyclopropylpyrrolidin-3-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62173888
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 62167266
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide
CID 68666556
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62181266
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62169938
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374254
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-3-ethylbenzamide
CID 134869175
N-(dicyclopropylmethyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62178341
N-(2,2-dimethylcyclohexyl)-2-(ethylamino)pyridine-3-carboxamide
CID 79872423

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide (CID 62167440) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide is CCNc1ncccc1C(=O)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide?
The InChIKey is MXUGRLVXTYEGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-16-14-12(4-3-7-17-14)15(20)18-13-10-19-8-5-11(13)6-9-19/h3-4,7,11,13H,2,5-6,8-10H2,1H3,(H,16,17)(H,18,20).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 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)-2-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62167440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).