3-(anilinomethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C20H24N6 — CID 162676474

IUPAC3-(anilinomethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1CNc1ccccc1
InChIInChI=1S/C20H24N6/c21-20-16(12-23-18-4-2-1-3-5-18)10-15(11-24-20)17-13-25-26(14-17)19-6-8-22-9-7-19/h1-5,10-11,13-14,19,22-23H,6-9,12H2,(H2,21,24)
InChIKeySPIMARRKGAZWOD-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.06
Rot. Bonds5

About 3-(anilinomethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-(anilinomethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 162676474) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(anilinomethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(anilinomethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID162676474
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name3-(anilinomethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1CNc1ccccc1
InChIInChI=1S/C20H24N6/c21-20-16(12-23-18-4-2-1-3-5-18)10-15(11-24-20)17-13-25-26(14-17)19-6-8-22-9-7-19/h1-5,10-11,13-14,19,22-23H,6-9,12H2,(H2,21,24)
InChIKeySPIMARRKGAZWOD-UHFFFAOYSA-N
XLogP3.06
TPSA80.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(anilinomethyl)-5-(1-piperidin-4-ylpyrazol-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 3-(anilinomethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(anilinomethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 162676474) is 3-(anilinomethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(anilinomethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(anilinomethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1CNc1ccccc1.
What is the InChIKey of 3-(anilinomethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is SPIMARRKGAZWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c21-20-16(12-23-18-4-2-1-3-5-18)10-15(11-24-20)17-13-25-26(14-17)19-6-8-22-9-7-19/h1-5,10-11,13-14,19,22-23H,6-9,12H2,(H2,21,24).
What are the key properties of 3-(anilinomethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-(anilinomethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 348.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(anilinomethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 162676474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).