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

C21H23N5O — CID 70875227

IUPACN-[4-[[3-(3-aminopiperidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESNC1CCCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C21H23N5O/c22-16-5-4-14-26(15-16)19-6-3-13-24-21(19)27-18-10-8-17(9-11-18)25-20-7-1-2-12-23-20/h1-3,6-13,16H,4-5,14-15,22H2,(H,23,25)
InChIKeyICYUXDDCGBQOJR-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.94
Rot. Bonds5

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

N-[4-[[3-(3-aminopiperidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (PubChem CID 70875227) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[4-[[3-(3-aminopiperidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[[3-(3-aminopiperidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
PubChem CID70875227
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[4-[[3-(3-aminopiperidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESNC1CCCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C21H23N5O/c22-16-5-4-14-26(15-16)19-6-3-13-24-21(19)27-18-10-8-17(9-11-18)25-20-7-1-2-12-23-20/h1-3,6-13,16H,4-5,14-15,22H2,(H,23,25)
InChIKeyICYUXDDCGBQOJR-UHFFFAOYSA-N
XLogP3.94
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(3-aminopiperidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The IUPAC name of N-[4-[[3-(3-aminopiperidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (CID 70875227) is N-[4-[[3-(3-aminopiperidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[[3-(3-aminopiperidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[[3-(3-aminopiperidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is NC1CCCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1.
What is the InChIKey of N-[4-[[3-(3-aminopiperidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The InChIKey is ICYUXDDCGBQOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c22-16-5-4-14-26(15-16)19-6-3-13-24-21(19)27-18-10-8-17(9-11-18)25-20-7-1-2-12-23-20/h1-3,6-13,16H,4-5,14-15,22H2,(H,23,25).
What are the key properties of N-[4-[[3-(3-aminopiperidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
N-[4-[[3-(3-aminopiperidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine has a molecular weight of 361.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(3-aminopiperidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 70875227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).