cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone

C13H17N3O — CID 175863488

IUPACcyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC[C@@H](Nc2ccccn2)C1
InChIInChI=1S/C13H17N3O/c17-13(10-4-5-10)16-8-6-11(9-16)15-12-3-1-2-7-14-12/h1-3,7,10-11H,4-6,8-9H2,(H,14,15)/t11-/m1/s1
InChIKeyMIYADGZJCHSDIN-LLVKDONJSA-N
MW231.30 g/mol
LogP1.50
Rot. Bonds3

About cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone

cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone (PubChem CID 175863488) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
PubChem CID175863488
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Namecyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC[C@@H](Nc2ccccn2)C1
InChIInChI=1S/C13H17N3O/c17-13(10-4-5-10)16-8-6-11(9-16)15-12-3-1-2-7-14-12/h1-3,7,10-11H,4-6,8-9H2,(H,14,15)/t11-/m1/s1
InChIKeyMIYADGZJCHSDIN-LLVKDONJSA-N
XLogP1.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide
CID 166407641
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde
CID 151863774
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
cyclopropyl-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434771
N-[4-(pyridin-2-ylamino)cyclohexyl]cyclopropanecarboxamide
CID 166194505
[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone
CID 68722687
N-(1-methylpiperidin-4-yl)pyridin-2-amine;dihydrochloride
CID 174544706
2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone
CID 167905138
[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133367003
N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridin-2-amine
CID 47054044
cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243258

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone (CID 175863488) is cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone is O=C(C1CC1)N1CC[C@@H](Nc2ccccn2)C1.
What is the InChIKey of cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone?
The InChIKey is MIYADGZJCHSDIN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13(10-4-5-10)16-8-6-11(9-16)15-12-3-1-2-7-14-12/h1-3,7,10-11H,4-6,8-9H2,(H,14,15)/t11-/m1/s1.
What are the key properties of cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone?
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone has a molecular weight of 231.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 175863488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).