(2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone

C14H21N3O — CID 79066637

IUPAC(2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone
SMILESCN(C)C1(C(=O)c2cccnc2N)CCCCC1
InChIInChI=1S/C14H21N3O/c1-17(2)14(8-4-3-5-9-14)12(18)11-7-6-10-16-13(11)15/h6-7,10H,3-5,8-9H2,1-2H3,(H2,15,16)
InChIKeyYVGRVIAMWIKBIF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.11
Rot. Bonds3

About (2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone

(2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone (PubChem CID 79066637) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone
PubChem CID79066637
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone
SMILESCN(C)C1(C(=O)c2cccnc2N)CCCCC1
InChIInChI=1S/C14H21N3O/c1-17(2)14(8-4-3-5-9-14)12(18)11-7-6-10-16-13(11)15/h6-7,10H,3-5,8-9H2,1-2H3,(H2,15,16)
InChIKeyYVGRVIAMWIKBIF-UHFFFAOYSA-N
XLogP2.11
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone (CID 79066637) is (2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone is CN(C)C1(C(=O)c2cccnc2N)CCCCC1.
What is the InChIKey of (2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone?
The InChIKey is YVGRVIAMWIKBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(2)14(8-4-3-5-9-14)12(18)11-7-6-10-16-13(11)15/h6-7,10H,3-5,8-9H2,1-2H3,(H2,15,16).
What are the key properties of (2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone?
(2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone has a molecular weight of 247.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone is sourced from PubChem (CID 79066637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).