N-[5-[3-(6-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)piperidin-1-yl]-2,5-dihydropyridin-2-yl]-2-pyridin-2-ylacetamide

C22H30N6OS — CID 123614529

IUPACN-[5-[3-(6-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)piperidin-1-yl]-2,5-dihydropyridin-2-yl]-2-pyridin-2-ylacetamide
SMILESCC1CC(N)SC(C2CCCN(C3C=CC(NC(=O)Cc4ccccn4)N=C3)C2)=N1
InChIInChI=1S/C22H30N6OS/c1-15-11-19(23)30-22(26-15)16-5-4-10-28(14-16)18-7-8-20(25-13-18)27-21(29)12-17-6-2-3-9-24-17/h2-3,6-9,13,15-16,18-20H,4-5,10-12,14,23H2,1H3,(H,27,29)
InChIKeyFNNDKIVEVOVXIW-UHFFFAOYSA-N
MW426.59 g/mol
LogP2.00
Rot. Bonds5

About N-[5-[3-(6-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)piperidin-1-yl]-2,5-dihydropyridin-2-yl]-2-pyridin-2-ylacetamide

N-[5-[3-(6-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)piperidin-1-yl]-2,5-dihydropyridin-2-yl]-2-pyridin-2-ylacetamide (PubChem CID 123614529) has the molecular formula C22H30N6OS and a molecular weight of 426.59 g/mol. Its IUPAC name is N-[5-[3-(6-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)piperidin-1-yl]-2,5-dihydropyridin-2-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[5-[3-(6-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)piperidin-1-yl]-2,5-dihydropyridin-2-yl]-2-pyridin-2-ylacetamide
PubChem CID123614529
Molecular FormulaC22H30N6OS
Molecular Weight426.59 g/mol
Exact Mass426.22
IUPAC NameN-[5-[3-(6-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)piperidin-1-yl]-2,5-dihydropyridin-2-yl]-2-pyridin-2-ylacetamide
SMILESCC1CC(N)SC(C2CCCN(C3C=CC(NC(=O)Cc4ccccn4)N=C3)C2)=N1
InChIInChI=1S/C22H30N6OS/c1-15-11-19(23)30-22(26-15)16-5-4-10-28(14-16)18-7-8-20(25-13-18)27-21(29)12-17-6-2-3-9-24-17/h2-3,6-9,13,15-16,18-20H,4-5,10-12,14,23H2,1H3,(H,27,29)
InChIKeyFNNDKIVEVOVXIW-UHFFFAOYSA-N
XLogP2.00
TPSA95.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[5-[3-(6-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)piperidin-1-yl]-2,5-dihydropyridin-2-yl]-2-pyridin-2-ylacetamide 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 N-[5-[3-(6-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)piperidin-1-yl]-2,5-dihydropyridin-2-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[5-[3-(6-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)piperidin-1-yl]-2,5-dihydropyridin-2-yl]-2-pyridin-2-ylacetamide (CID 123614529) is N-[5-[3-(6-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)piperidin-1-yl]-2,5-dihydropyridin-2-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[5-[3-(6-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)piperidin-1-yl]-2,5-dihydropyridin-2-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[5-[3-(6-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)piperidin-1-yl]-2,5-dihydropyridin-2-yl]-2-pyridin-2-ylacetamide is CC1CC(N)SC(C2CCCN(C3C=CC(NC(=O)Cc4ccccn4)N=C3)C2)=N1.
What is the InChIKey of N-[5-[3-(6-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)piperidin-1-yl]-2,5-dihydropyridin-2-yl]-2-pyridin-2-ylacetamide?
The InChIKey is FNNDKIVEVOVXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6OS/c1-15-11-19(23)30-22(26-15)16-5-4-10-28(14-16)18-7-8-20(25-13-18)27-21(29)12-17-6-2-3-9-24-17/h2-3,6-9,13,15-16,18-20H,4-5,10-12,14,23H2,1H3,(H,27,29).
What are the key properties of N-[5-[3-(6-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)piperidin-1-yl]-2,5-dihydropyridin-2-yl]-2-pyridin-2-ylacetamide?
N-[5-[3-(6-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)piperidin-1-yl]-2,5-dihydropyridin-2-yl]-2-pyridin-2-ylacetamide has a molecular weight of 426.59 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(6-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)piperidin-1-yl]-2,5-dihydropyridin-2-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 123614529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).