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

C21H22N4O2 — CID 46831203

IUPACN-[4-[[3-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESCOC1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C21H22N4O2/c1-26-18-11-14-25(15-18)19-5-4-13-23-21(19)27-17-9-7-16(8-10-17)24-20-6-2-3-12-22-20/h2-10,12-13,18H,11,14-15H2,1H3,(H,22,24)
InChIKeyBIJRQAJTQOQURV-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.24
Rot. Bonds6

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

N-[4-[[3-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (PubChem CID 46831203) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[4-[[3-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[[3-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
PubChem CID46831203
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[4-[[3-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESCOC1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C21H22N4O2/c1-26-18-11-14-25(15-18)19-5-4-13-23-21(19)27-17-9-7-16(8-10-17)24-20-6-2-3-12-22-20/h2-10,12-13,18H,11,14-15H2,1H3,(H,22,24)
InChIKeyBIJRQAJTQOQURV-UHFFFAOYSA-N
XLogP4.24
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 96213
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CID 6539010
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CID 11447232
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CID 42626196
CID 42626196
CID 42626268
CID 42626268
CID 44341428
CID 44341428
CID 44521023
CID 44521023
CID 59374169
CID 59374169
CID 3237037
CID 3237037
CID 76871873
CID 76871873
CID 91937745
CID 91937745
CID 6538985
CID 6538985

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The IUPAC name of N-[4-[[3-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (CID 46831203) is N-[4-[[3-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[[3-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[[3-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is COC1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1.
What is the InChIKey of N-[4-[[3-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The InChIKey is BIJRQAJTQOQURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-26-18-11-14-25(15-18)19-5-4-13-23-21(19)27-17-9-7-16(8-10-17)24-20-6-2-3-12-22-20/h2-10,12-13,18H,11,14-15H2,1H3,(H,22,24).
What are the key properties of N-[4-[[3-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
N-[4-[[3-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine has a molecular weight of 362.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 46831203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).