N-[(1R,2R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cyclopropyl]acetamide

C15H21N3O2 — CID 70230795

IUPACN-[(1R,2R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cyclopropyl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H]1Cc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C15H21N3O2/c1-10(19)18-15-6-12(15)4-11-5-14(8-16-7-11)20-9-13-2-3-17-13/h5,7-8,12-13,15,17H,2-4,6,9H2,1H3,(H,18,19)/t12-,13+,15-/m1/s1
InChIKeyDZRACSXAFPDPIL-VNHYZAJKSA-N
MW275.35 g/mol
LogP0.89
Rot. Bonds6

About N-[(1R,2R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cyclopropyl]acetamide

N-[(1R,2R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cyclopropyl]acetamide (PubChem CID 70230795) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(1R,2R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cyclopropyl]acetamide
PubChem CID70230795
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(1R,2R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cyclopropyl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H]1Cc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C15H21N3O2/c1-10(19)18-15-6-12(15)4-11-5-14(8-16-7-11)20-9-13-2-3-17-13/h5,7-8,12-13,15,17H,2-4,6,9H2,1H3,(H,18,19)/t12-,13+,15-/m1/s1
InChIKeyDZRACSXAFPDPIL-VNHYZAJKSA-N
XLogP0.89
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cyclopropyl]acetamide?
The IUPAC name of N-[(1R,2R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cyclopropyl]acetamide (CID 70230795) is N-[(1R,2R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cyclopropyl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cyclopropyl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cyclopropyl]acetamide is CC(=O)N[C@@H]1C[C@H]1Cc1cncc(OC[C@@H]2CCN2)c1.
What is the InChIKey of N-[(1R,2R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cyclopropyl]acetamide?
The InChIKey is DZRACSXAFPDPIL-VNHYZAJKSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(19)18-15-6-12(15)4-11-5-14(8-16-7-11)20-9-13-2-3-17-13/h5,7-8,12-13,15,17H,2-4,6,9H2,1H3,(H,18,19)/t12-,13+,15-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cyclopropyl]acetamide?
N-[(1R,2R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cyclopropyl]acetamide has a molecular weight of 275.35 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cyclopropyl]acetamide is sourced from PubChem (CID 70230795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).