N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide

C15H22N4O — CID 62167266

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)NC2CN3CCC2CC3)c1
InChIInChI=1S/C15H22N4O/c1-2-16-12-3-6-17-13(9-12)15(20)18-14-10-19-7-4-11(14)5-8-19/h3,6,9,11,14H,2,4-5,7-8,10H2,1H3,(H,16,17)(H,18,20)
InChIKeyWZLZDELUZVJBTG-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.34
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide (PubChem CID 62167266) 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)-4-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide
PubChem CID62167266
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)NC2CN3CCC2CC3)c1
InChIInChI=1S/C15H22N4O/c1-2-16-12-3-6-17-13(9-12)15(20)18-14-10-19-7-4-11(14)5-8-19/h3,6,9,11,14H,2,4-5,7-8,10H2,1H3,(H,16,17)(H,18,20)
InChIKeyWZLZDELUZVJBTG-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-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612
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-(ethylamino)pyridine-3-carboxamide
CID 62167440
4-(ethylamino)-N-(3-methoxycyclobutyl)pyridine-2-carboxamide
CID 114120787
N-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 63917314
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 62165513
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-(11C)carboxamide
CID 10084487
N-(cyclobutylmethyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62167949
4-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 83025254
2-azabicyclo[2.2.1]heptan-2-yl-[4-(ethylamino)-2-pyridinyl]methanone
CID 62173507
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 83039304
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[3,4-c]pyridine-6-carboxamide;methanesulfonic acid
CID 87925336

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide (CID 62167266) is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide is CCNc1ccnc(C(=O)NC2CN3CCC2CC3)c1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide?
The InChIKey is WZLZDELUZVJBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-16-12-3-6-17-13(9-12)15(20)18-14-10-19-7-4-11(14)5-8-19/h3,6,9,11,14H,2,4-5,7-8,10H2,1H3,(H,16,17)(H,18,20).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-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)-4-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62167266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).