4-(4-amino-2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine

C20H26N4 — CID 146380484

IUPAC4-(4-amino-2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
SMILESCN1CCC(Nc2cc(-c3ccc4c(c3N)CCC4)ccn2)CC1
InChIInChI=1S/C20H26N4/c1-24-11-8-16(9-12-24)23-19-13-15(7-10-22-19)18-6-5-14-3-2-4-17(14)20(18)21/h5-7,10,13,16H,2-4,8-9,11-12,21H2,1H3,(H,22,23)
InChIKeyRUFBDBLYXQVQPN-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.33
Rot. Bonds3

About 4-(4-amino-2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine

4-(4-amino-2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine (PubChem CID 146380484) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 4-(4-amino-2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(4-amino-2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
PubChem CID146380484
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name4-(4-amino-2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
SMILESCN1CCC(Nc2cc(-c3ccc4c(c3N)CCC4)ccn2)CC1
InChIInChI=1S/C20H26N4/c1-24-11-8-16(9-12-24)23-19-13-15(7-10-22-19)18-6-5-14-3-2-4-17(14)20(18)21/h5-7,10,13,16H,2-4,8-9,11-12,21H2,1H3,(H,22,23)
InChIKeyRUFBDBLYXQVQPN-UHFFFAOYSA-N
XLogP3.33
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-amino-2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine 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 4-(4-amino-2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The IUPAC name of 4-(4-amino-2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine (CID 146380484) is 4-(4-amino-2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 4-(4-amino-2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The canonical SMILES for 4-(4-amino-2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine is CN1CCC(Nc2cc(-c3ccc4c(c3N)CCC4)ccn2)CC1.
What is the InChIKey of 4-(4-amino-2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The InChIKey is RUFBDBLYXQVQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-24-11-8-16(9-12-24)23-19-13-15(7-10-22-19)18-6-5-14-3-2-4-17(14)20(18)21/h5-7,10,13,16H,2-4,8-9,11-12,21H2,1H3,(H,22,23).
What are the key properties of 4-(4-amino-2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
4-(4-amino-2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine has a molecular weight of 322.46 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 146380484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).