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

C21H22N4O — CID 46831205

IUPACN-[4-[(3-piperidin-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
SMILESc1ccc(Nc2ccc(Oc3ncccc3N3CCCCC3)cc2)nc1
InChIInChI=1S/C21H22N4O/c1-4-15-25(16-5-1)19-7-6-14-23-21(19)26-18-11-9-17(10-12-18)24-20-8-2-3-13-22-20/h2-3,6-14H,1,4-5,15-16H2,(H,22,24)
InChIKeyMEMRLRMKYOCWSK-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.00
Rot. Bonds5

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

N-[4-[(3-piperidin-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine (PubChem CID 46831205) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[4-[(3-piperidin-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[(3-piperidin-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
PubChem CID46831205
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[4-[(3-piperidin-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
SMILESc1ccc(Nc2ccc(Oc3ncccc3N3CCCCC3)cc2)nc1
InChIInChI=1S/C21H22N4O/c1-4-15-25(16-5-1)19-7-6-14-23-21(19)26-18-11-9-17(10-12-18)24-20-8-2-3-13-22-20/h2-3,6-14H,1,4-5,15-16H2,(H,22,24)
InChIKeyMEMRLRMKYOCWSK-UHFFFAOYSA-N
XLogP5.00
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-piperidin-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
The IUPAC name of N-[4-[(3-piperidin-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine (CID 46831205) is N-[4-[(3-piperidin-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[(3-piperidin-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[(3-piperidin-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine is c1ccc(Nc2ccc(Oc3ncccc3N3CCCCC3)cc2)nc1.
What is the InChIKey of N-[4-[(3-piperidin-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
The InChIKey is MEMRLRMKYOCWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-15-25(16-5-1)19-7-6-14-23-21(19)26-18-11-9-17(10-12-18)24-20-8-2-3-13-22-20/h2-3,6-14H,1,4-5,15-16H2,(H,22,24).
What are the key properties of N-[4-[(3-piperidin-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
N-[4-[(3-piperidin-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine has a molecular weight of 346.43 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-piperidin-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 46831205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).