N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide

C12H17N3O2 — CID 43594044

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide
SMILESCO[C@H]1CNCC1NC(=O)Cc1ccncc1
InChIInChI=1S/C12H17N3O2/c1-17-11-8-14-7-10(11)15-12(16)6-9-2-4-13-5-3-9/h2-5,10-11,14H,6-8H2,1H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyCFNHTIXXKAGZIC-DTIOYNMSSA-N
MW235.29 g/mol
LogP-0.27
Rot. Bonds4

About N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide

N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide (PubChem CID 43594044) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide
PubChem CID43594044
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide
SMILESCO[C@H]1CNCC1NC(=O)Cc1ccncc1
InChIInChI=1S/C12H17N3O2/c1-17-11-8-14-7-10(11)15-12(16)6-9-2-4-13-5-3-9/h2-5,10-11,14H,6-8H2,1H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyCFNHTIXXKAGZIC-DTIOYNMSSA-N
XLogP-0.27
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride
CID 136561181
2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide
CID 74883365
2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 43594047
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 91660071
N-[(4S)-4-methoxypyrrolidin-3-yl]but-3-enamide
CID 62680070
3-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dimethylurea
CID 79154525
N-(4-methoxypyrrolidin-3-yl)-1H-pyrazole-4-carboxamide
CID 74883497
5-chloro-N-(4-methoxypyrrolidin-3-yl)furan-2-carboxamide
CID 74883276
1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea
CID 52908262
N-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide
CID 136575983
(3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide
CID 99777059
2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
CID 43594211

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide (CID 43594044) is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide is CO[C@H]1CNCC1NC(=O)Cc1ccncc1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide?
The InChIKey is CFNHTIXXKAGZIC-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-11-8-14-7-10(11)15-12(16)6-9-2-4-13-5-3-9/h2-5,10-11,14H,6-8H2,1H3,(H,15,16)/t10?,11-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide has a molecular weight of 235.29 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 43594044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).