[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone

C11H15N3O2 — CID 129493227

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CC[C@@H](N)C2)cn1
InChIInChI=1S/C11H15N3O2/c1-16-10-3-2-8(6-13-10)11(15)14-5-4-9(12)7-14/h2-3,6,9H,4-5,7,12H2,1H3/t9-/m1/s1
InChIKeyGIVHFTHYCMWUQC-SECBINFHSA-N
MW221.26 g/mol
LogP0.26
Rot. Bonds2

About [(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 129493227) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
PubChem CID129493227
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CC[C@@H](N)C2)cn1
InChIInChI=1S/C11H15N3O2/c1-16-10-3-2-8(6-13-10)11(15)14-5-4-9(12)7-14/h2-3,6,9H,4-5,7,12H2,1H3/t9-/m1/s1
InChIKeyGIVHFTHYCMWUQC-SECBINFHSA-N
XLogP0.26
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493895
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129367707
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 129415328
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
(6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 46975635
(6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 90652589
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27661534
[(3R)-3-aminopyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 113282283
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 134063116
[(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 129462233

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone (CID 129493227) is [(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2CC[C@@H](N)C2)cn1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is GIVHFTHYCMWUQC-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-10-3-2-8(6-13-10)11(15)14-5-4-9(12)7-14/h2-3,6,9H,4-5,7,12H2,1H3/t9-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 221.26 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 129493227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).