(4-amino-3-pyridinyl)-[1-(dimethylamino)cyclopentyl]methanone

C13H19N3O — CID 79068248

IUPAC(4-amino-3-pyridinyl)-[1-(dimethylamino)cyclopentyl]methanone
SMILESCN(C)C1(C(=O)c2cnccc2N)CCCC1
InChIInChI=1S/C13H19N3O/c1-16(2)13(6-3-4-7-13)12(17)10-9-15-8-5-11(10)14/h5,8-9H,3-4,6-7H2,1-2H3,(H2,14,15)
InChIKeyOJYNJTRJGIOBGL-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.72
Rot. Bonds3

About (4-amino-3-pyridinyl)-[1-(dimethylamino)cyclopentyl]methanone

(4-amino-3-pyridinyl)-[1-(dimethylamino)cyclopentyl]methanone (PubChem CID 79068248) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-[1-(dimethylamino)cyclopentyl]methanone.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-[1-(dimethylamino)cyclopentyl]methanone
PubChem CID79068248
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(4-amino-3-pyridinyl)-[1-(dimethylamino)cyclopentyl]methanone
SMILESCN(C)C1(C(=O)c2cnccc2N)CCCC1
InChIInChI=1S/C13H19N3O/c1-16(2)13(6-3-4-7-13)12(17)10-9-15-8-5-11(10)14/h5,8-9H,3-4,6-7H2,1-2H3,(H2,14,15)
InChIKeyOJYNJTRJGIOBGL-UHFFFAOYSA-N
XLogP1.72
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3-pyridinyl)-(1-hydroxycyclopentyl)methanone
CID 103447715
(4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone
CID 116569322
(2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066637
(2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone
CID 79074262
(4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81255698
(4-amino-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone
CID 116561844
(2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone
CID 79074631
4-amino-N-cyclopentyl-N-ethylpyridine-3-carboxamide
CID 81242271
4-amino-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide
CID 81242644
[1-(dimethylamino)cyclopentyl]-(1-methylpyrazol-3-yl)methanone
CID 103130453
4-amino-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 104554326
1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one
CID 79051639

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-[1-(dimethylamino)cyclopentyl]methanone?
The IUPAC name of (4-amino-3-pyridinyl)-[1-(dimethylamino)cyclopentyl]methanone (CID 79068248) is (4-amino-3-pyridinyl)-[1-(dimethylamino)cyclopentyl]methanone.
What is the SMILES notation for (4-amino-3-pyridinyl)-[1-(dimethylamino)cyclopentyl]methanone?
The canonical SMILES for (4-amino-3-pyridinyl)-[1-(dimethylamino)cyclopentyl]methanone is CN(C)C1(C(=O)c2cnccc2N)CCCC1.
What is the InChIKey of (4-amino-3-pyridinyl)-[1-(dimethylamino)cyclopentyl]methanone?
The InChIKey is OJYNJTRJGIOBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(2)13(6-3-4-7-13)12(17)10-9-15-8-5-11(10)14/h5,8-9H,3-4,6-7H2,1-2H3,(H2,14,15).
What are the key properties of (4-amino-3-pyridinyl)-[1-(dimethylamino)cyclopentyl]methanone?
(4-amino-3-pyridinyl)-[1-(dimethylamino)cyclopentyl]methanone has a molecular weight of 233.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl)-[1-(dimethylamino)cyclopentyl]methanone is sourced from PubChem (CID 79068248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).