5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine

C23H26N4O — CID 161439040

IUPAC5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine
SMILESCN1CCC(c2ccc(-c3cnc(N)c(OCc4ccccc4)c3)nc2)CC1
InChIInChI=1S/C23H26N4O/c1-27-11-9-18(10-12-27)19-7-8-21(25-14-19)20-13-22(23(24)26-15-20)28-16-17-5-3-2-4-6-17/h2-8,13-15,18H,9-12,16H2,1H3,(H2,24,26)
InChIKeyVLXJYYAMLGMDFU-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.11
Rot. Bonds5

About 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine

5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine (PubChem CID 161439040) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine.

Molecular Properties

Compound Name5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine
PubChem CID161439040
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine
SMILESCN1CCC(c2ccc(-c3cnc(N)c(OCc4ccccc4)c3)nc2)CC1
InChIInChI=1S/C23H26N4O/c1-27-11-9-18(10-12-27)19-7-8-21(25-14-19)20-13-22(23(24)26-15-20)28-16-17-5-3-2-4-6-17/h2-8,13-15,18H,9-12,16H2,1H3,(H2,24,26)
InChIKeyVLXJYYAMLGMDFU-UHFFFAOYSA-N
XLogP4.11
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine?
The IUPAC name of 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine (CID 161439040) is 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine.
What is the SMILES notation for 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine?
The canonical SMILES for 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine is CN1CCC(c2ccc(-c3cnc(N)c(OCc4ccccc4)c3)nc2)CC1.
What is the InChIKey of 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine?
The InChIKey is VLXJYYAMLGMDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-27-11-9-18(10-12-27)19-7-8-21(25-14-19)20-13-22(23(24)26-15-20)28-16-17-5-3-2-4-6-17/h2-8,13-15,18H,9-12,16H2,1H3,(H2,24,26).
What are the key properties of 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine?
5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine has a molecular weight of 374.49 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine is sourced from PubChem (CID 161439040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).