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

C20H23N5O — CID 162665147

IUPAC3-(phenoxymethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1COc1ccccc1
InChIInChI=1S/C20H23N5O/c21-20-16(14-26-19-4-2-1-3-5-19)10-15(11-23-20)17-12-24-25(13-17)18-6-8-22-9-7-18/h1-5,10-13,18,22H,6-9,14H2,(H2,21,23)
InChIKeyHHHGAYSFILQDMW-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.03
Rot. Bonds5

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

3-(phenoxymethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 162665147) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-(phenoxymethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(phenoxymethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID162665147
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-(phenoxymethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1COc1ccccc1
InChIInChI=1S/C20H23N5O/c21-20-16(14-26-19-4-2-1-3-5-19)10-15(11-23-20)17-12-24-25(13-17)18-6-8-22-9-7-18/h1-5,10-13,18,22H,6-9,14H2,(H2,21,23)
InChIKeyHHHGAYSFILQDMW-UHFFFAOYSA-N
XLogP3.03
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(phenoxymethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 162665147) is 3-(phenoxymethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(phenoxymethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(phenoxymethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1COc1ccccc1.
What is the InChIKey of 3-(phenoxymethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is HHHGAYSFILQDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c21-20-16(14-26-19-4-2-1-3-5-19)10-15(11-23-20)17-12-24-25(13-17)18-6-8-22-9-7-18/h1-5,10-13,18,22H,6-9,14H2,(H2,21,23).
What are the key properties of 3-(phenoxymethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-(phenoxymethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 349.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 162665147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).