2-azabicyclo[2.2.1]heptan-2-yl-[4-(ethylamino)-2-pyridinyl]methanone

C14H19N3O — CID 62173507

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-[4-(ethylamino)-2-pyridinyl]methanone
SMILESCCNc1ccnc(C(=O)N2CC3CCC2C3)c1
InChIInChI=1S/C14H19N3O/c1-2-15-11-5-6-16-13(8-11)14(18)17-9-10-3-4-12(17)7-10/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,15,16)
InChIKeyGUPKIISPIDEGOV-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.14
Rot. Bonds3

About 2-azabicyclo[2.2.1]heptan-2-yl-[4-(ethylamino)-2-pyridinyl]methanone

2-azabicyclo[2.2.1]heptan-2-yl-[4-(ethylamino)-2-pyridinyl]methanone (PubChem CID 62173507) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-[4-(ethylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-[4-(ethylamino)-2-pyridinyl]methanone
PubChem CID62173507
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-[4-(ethylamino)-2-pyridinyl]methanone
SMILESCCNc1ccnc(C(=O)N2CC3CCC2C3)c1
InChIInChI=1S/C14H19N3O/c1-2-15-11-5-6-16-13(8-11)14(18)17-9-10-3-4-12(17)7-10/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,15,16)
InChIKeyGUPKIISPIDEGOV-UHFFFAOYSA-N
XLogP2.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62175903
[4-(ethylamino)-2-pyridinyl]-(3-methylmorpholin-4-yl)methanone
CID 62167827
2-azabicyclo[2.2.1]heptan-2-yl-[5-(ethylamino)-2-nitrophenyl]methanone
CID 62174045
[4-(ethylamino)-2-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 55047074
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(ethylamino)-2-pyridinyl]methanone
CID 104960428
[4-(dimethylamino)piperidin-1-yl]-[4-(ethylamino)-2-pyridinyl]methanone
CID 62169404
[4-(ethylamino)-2-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 63604449
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 62167266
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)-N-methylpyridine-2-carboxamide
CID 63685756
[4-(ethylamino)-2-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358193
N-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612
[4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62168232

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-[4-(ethylamino)-2-pyridinyl]methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-[4-(ethylamino)-2-pyridinyl]methanone (CID 62173507) is 2-azabicyclo[2.2.1]heptan-2-yl-[4-(ethylamino)-2-pyridinyl]methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-[4-(ethylamino)-2-pyridinyl]methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-[4-(ethylamino)-2-pyridinyl]methanone is CCNc1ccnc(C(=O)N2CC3CCC2C3)c1.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-[4-(ethylamino)-2-pyridinyl]methanone?
The InChIKey is GUPKIISPIDEGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-15-11-5-6-16-13(8-11)14(18)17-9-10-3-4-12(17)7-10/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,15,16).
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-[4-(ethylamino)-2-pyridinyl]methanone?
2-azabicyclo[2.2.1]heptan-2-yl-[4-(ethylamino)-2-pyridinyl]methanone has a molecular weight of 245.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-[4-(ethylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 62173507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).