(2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone

C18H23N5O — CID 24993155

IUPAC(2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone
SMILESCN(C)C1CCN(c2cccc(C(=O)c3cccnc3N)n2)CC1
InChIInChI=1S/C18H23N5O/c1-22(2)13-8-11-23(12-9-13)16-7-3-6-15(21-16)17(24)14-5-4-10-20-18(14)19/h3-7,10,13H,8-9,11-12H2,1-2H3,(H2,19,20)
InChIKeyXTIOFBGJFWXQMQ-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.82
Rot. Bonds4

About (2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone

(2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone (PubChem CID 24993155) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone
PubChem CID24993155
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone
SMILESCN(C)C1CCN(c2cccc(C(=O)c3cccnc3N)n2)CC1
InChIInChI=1S/C18H23N5O/c1-22(2)13-8-11-23(12-9-13)16-7-3-6-15(21-16)17(24)14-5-4-10-20-18(14)19/h3-7,10,13H,8-9,11-12H2,1-2H3,(H2,19,20)
InChIKeyXTIOFBGJFWXQMQ-UHFFFAOYSA-N
XLogP1.82
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone (CID 24993155) is (2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone is CN(C)C1CCN(c2cccc(C(=O)c3cccnc3N)n2)CC1.
What is the InChIKey of (2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone?
The InChIKey is XTIOFBGJFWXQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-22(2)13-8-11-23(12-9-13)16-7-3-6-15(21-16)17(24)14-5-4-10-20-18(14)19/h3-7,10,13H,8-9,11-12H2,1-2H3,(H2,19,20).
What are the key properties of (2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone?
(2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone has a molecular weight of 325.42 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone is sourced from PubChem (CID 24993155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).