2-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]phenoxy]pyridine-3-carbonitrile

C20H19N5O2 — CID 25142839

IUPAC2-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Oc1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1
InChIInChI=1S/C20H19N5O2/c21-12-15-3-1-9-24-19(15)27-17-7-5-14(6-8-17)11-18(23)20(26)25-10-2-4-16(25)13-22/h1,3,5-9,16,18H,2,4,10-11,23H2/t16-,18-/m0/s1
InChIKeyZLRLIXJXTDHWLR-WMZOPIPTSA-N
MW361.41 g/mol
LogP2.13
Rot. Bonds5

About 2-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]phenoxy]pyridine-3-carbonitrile

2-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]phenoxy]pyridine-3-carbonitrile (PubChem CID 25142839) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]phenoxy]pyridine-3-carbonitrile
PubChem CID25142839
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Oc1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1
InChIInChI=1S/C20H19N5O2/c21-12-15-3-1-9-24-19(15)27-17-7-5-14(6-8-17)11-18(23)20(26)25-10-2-4-16(25)13-22/h1,3,5-9,16,18H,2,4,10-11,23H2/t16-,18-/m0/s1
InChIKeyZLRLIXJXTDHWLR-WMZOPIPTSA-N
XLogP2.13
TPSA116.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]phenoxy]pyridine-3-carbonitrile (CID 25142839) is 2-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]phenoxy]pyridine-3-carbonitrile is N#Cc1cccnc1Oc1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1.
What is the InChIKey of 2-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]phenoxy]pyridine-3-carbonitrile?
The InChIKey is ZLRLIXJXTDHWLR-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H19N5O2/c21-12-15-3-1-9-24-19(15)27-17-7-5-14(6-8-17)11-18(23)20(26)25-10-2-4-16(25)13-22/h1,3,5-9,16,18H,2,4,10-11,23H2/t16-,18-/m0/s1.
What are the key properties of 2-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]phenoxy]pyridine-3-carbonitrile?
2-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]phenoxy]pyridine-3-carbonitrile has a molecular weight of 361.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 25142839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).