N-[4-[[3-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine

C23H26N4O2 — CID 46831509

IUPACN-[4-[[3-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESCOCC1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1
InChIInChI=1S/C23H26N4O2/c1-28-17-18-11-15-27(16-12-18)21-5-4-14-25-23(21)29-20-9-7-19(8-10-20)26-22-6-2-3-13-24-22/h2-10,13-14,18H,11-12,15-17H2,1H3,(H,24,26)
InChIKeyWFOYDCDUWQKBAV-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.88
Rot. Bonds7

About N-[4-[[3-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine

N-[4-[[3-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine (PubChem CID 46831509) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[4-[[3-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[[3-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine
PubChem CID46831509
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[4-[[3-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESCOCC1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1
InChIInChI=1S/C23H26N4O2/c1-28-17-18-11-15-27(16-12-18)21-5-4-14-25-23(21)29-20-9-7-19(8-10-20)26-22-6-2-3-13-24-22/h2-10,13-14,18H,11-12,15-17H2,1H3,(H,24,26)
InChIKeyWFOYDCDUWQKBAV-UHFFFAOYSA-N
XLogP4.88
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The IUPAC name of N-[4-[[3-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine (CID 46831509) is N-[4-[[3-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[[3-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[[3-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine is COCC1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1.
What is the InChIKey of N-[4-[[3-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The InChIKey is WFOYDCDUWQKBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-28-17-18-11-15-27(16-12-18)21-5-4-14-25-23(21)29-20-9-7-19(8-10-20)26-22-6-2-3-13-24-22/h2-10,13-14,18H,11-12,15-17H2,1H3,(H,24,26).
What are the key properties of N-[4-[[3-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
N-[4-[[3-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine has a molecular weight of 390.49 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 46831509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).