1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone

C12H17N3O — CID 97165705

IUPAC1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone
SMILESO=C(CNC[C@@H]1CCNC1)c1ccccn1
InChIInChI=1S/C12H17N3O/c16-12(11-3-1-2-5-15-11)9-14-8-10-4-6-13-7-10/h1-3,5,10,13-14H,4,6-9H2/t10-/m1/s1
InChIKeyFBIMTBUJKUHRRL-SNVBAGLBSA-N
MW219.29 g/mol
LogP0.46
Rot. Bonds5

About 1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone

1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone (PubChem CID 97165705) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone.

Molecular Properties

Compound Name1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone
PubChem CID97165705
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone
SMILESO=C(CNC[C@@H]1CCNC1)c1ccccn1
InChIInChI=1S/C12H17N3O/c16-12(11-3-1-2-5-15-11)9-14-8-10-4-6-13-7-10/h1-3,5,10,13-14H,4,6-9H2/t10-/m1/s1
InChIKeyFBIMTBUJKUHRRL-SNVBAGLBSA-N
XLogP0.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea
CID 117235346
2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
CID 71644996
N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]pyridine-2-carboxamide
CID 119535290
1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone
CID 97165702
N-(2-piperidin-4-ylethyl)pyridine-2-carboxamide
CID 21497163
2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone
CID 97165742
3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
CID 107520198
(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162329
2-piperidin-4-yloxy-1-pyridin-2-ylethanone
CID 71645202
N-[(3R)-pyrrolidin-3-yl]oxypyridine-2-carboxamide
CID 168757336
N-methyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CID 79721118
2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564265

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone?
The IUPAC name of 1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone (CID 97165705) is 1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone.
What is the SMILES notation for 1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone?
The canonical SMILES for 1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone is O=C(CNC[C@@H]1CCNC1)c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone?
The InChIKey is FBIMTBUJKUHRRL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12(11-3-1-2-5-15-11)9-14-8-10-4-6-13-7-10/h1-3,5,10,13-14H,4,6-9H2/t10-/m1/s1.
What are the key properties of 1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone?
1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone has a molecular weight of 219.29 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone is sourced from PubChem (CID 97165705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).