N-[2-[(1S,2S)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]acetamide

C17H25N3O2 — CID 59371557

IUPACN-[2-[(1S,2S)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]acetamide
SMILESCC(=O)NCC[C@@H]1C[C@@H]1c1cncc(OC[C@@H]2CCCN2)c1
InChIInChI=1S/C17H25N3O2/c1-12(21)19-6-4-13-8-17(13)14-7-16(10-18-9-14)22-11-15-3-2-5-20-15/h7,9-10,13,15,17,20H,2-6,8,11H2,1H3,(H,19,21)/t13-,15+,17+/m1/s1
InChIKeyFLRWELMTFWDLPS-KMFMINBZSA-N
MW303.41 g/mol
LogP1.84
Rot. Bonds7

About N-[2-[(1S,2S)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]acetamide

N-[2-[(1S,2S)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]acetamide (PubChem CID 59371557) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[2-[(1S,2S)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1S,2S)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]acetamide
PubChem CID59371557
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[2-[(1S,2S)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]acetamide
SMILESCC(=O)NCC[C@@H]1C[C@@H]1c1cncc(OC[C@@H]2CCCN2)c1
InChIInChI=1S/C17H25N3O2/c1-12(21)19-6-4-13-8-17(13)14-7-16(10-18-9-14)22-11-15-3-2-5-20-15/h7,9-10,13,15,17,20H,2-6,8,11H2,1H3,(H,19,21)/t13-,15+,17+/m1/s1
InChIKeyFLRWELMTFWDLPS-KMFMINBZSA-N
XLogP1.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(1S,2S)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]acetamide with MolForge

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Related Compounds

ethyl N-[2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]carbamate;2,2,2-trifluoroacetic acid
CID 73350671
propan-2-yl N-[2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]carbamate;2,2,2-trifluoroacetic acid
CID 73355124
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine
CID 59371604
[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol
CID 46190781
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]pyridine
CID 59371464
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-pyridin-4-yloxyethyl)cyclopropyl]pyridine
CID 68613299
N-[2-fluoro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
CID 54387208
N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
CID 54027066
3-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57064323
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine
CID 68613474
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(2-pyridin-2-yloxyethyl)cyclopropyl]pyridine
CID 59371689
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopropyl]pyridine
CID 68611505

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,2S)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]acetamide?
The IUPAC name of N-[2-[(1S,2S)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]acetamide (CID 59371557) is N-[2-[(1S,2S)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(1S,2S)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]acetamide?
The canonical SMILES for N-[2-[(1S,2S)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]acetamide is CC(=O)NCC[C@@H]1C[C@@H]1c1cncc(OC[C@@H]2CCCN2)c1.
What is the InChIKey of N-[2-[(1S,2S)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]acetamide?
The InChIKey is FLRWELMTFWDLPS-KMFMINBZSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(21)19-6-4-13-8-17(13)14-7-16(10-18-9-14)22-11-15-3-2-5-20-15/h7,9-10,13,15,17,20H,2-6,8,11H2,1H3,(H,19,21)/t13-,15+,17+/m1/s1.
What are the key properties of N-[2-[(1S,2S)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]acetamide?
N-[2-[(1S,2S)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,2S)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]acetamide is sourced from PubChem (CID 59371557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).