(4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone

C14H19N3O — CID 114196779

IUPAC(4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESNc1ccncc1C(=O)N1CC2CCCC(C2)C1
InChIInChI=1S/C14H19N3O/c15-13-4-5-16-7-12(13)14(18)17-8-10-2-1-3-11(6-10)9-17/h4-5,7,10-11H,1-3,6,8-9H2,(H2,15,16)
InChIKeyJCWHTHJQBFTLKZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.93
Rot. Bonds1

About (4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone

(4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 114196779) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID114196779
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESNc1ccncc1C(=O)N1CC2CCCC(C2)C1
InChIInChI=1S/C14H19N3O/c15-13-4-5-16-7-12(13)14(18)17-8-10-2-1-3-11(6-10)9-17/h4-5,7,10-11H,1-3,6,8-9H2,(H2,15,16)
InChIKeyJCWHTHJQBFTLKZ-UHFFFAOYSA-N
XLogP1.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 81236621
(4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 81236152
(4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 81239759
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-3-pyridinyl)methanone
CID 81245899
(4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone
CID 68771862
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-amino-3-pyridinyl)methanone
CID 81256985
(4-amino-3-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 81241912
3-azabicyclo[3.3.1]nonan-3-yl-(2-bromo-4-pyridinyl)methanone
CID 114196387
(4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81255698
(4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 81242396
(4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone
CID 81236290
(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 120607916

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of (4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone (CID 114196779) is (4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for (4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for (4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone is Nc1ccncc1C(=O)N1CC2CCCC(C2)C1.
What is the InChIKey of (4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is JCWHTHJQBFTLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-13-4-5-16-7-12(13)14(18)17-8-10-2-1-3-11(6-10)9-17/h4-5,7,10-11H,1-3,6,8-9H2,(H2,15,16).
What are the key properties of (4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone?
(4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 245.33 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 114196779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).