(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone

C10H13N3O — CID 59657975

IUPAC(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
SMILESNC1CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C10H13N3O/c11-8-4-6-13(7-8)10(14)9-3-1-2-5-12-9/h1-3,5,8H,4,6-7,11H2
InChIKeyGOJYQFWQFJESHS-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.25
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone

(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone (PubChem CID 59657975) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
PubChem CID59657975
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
SMILESNC1CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C10H13N3O/c11-8-4-6-13(7-8)10(14)9-3-1-2-5-12-9/h1-3,5,8H,4,6-7,11H2
InChIKeyGOJYQFWQFJESHS-UHFFFAOYSA-N
XLogP0.25
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 62063206
(4-amino-3-ethylpiperidin-1-yl)-pyridin-2-ylmethanone
CID 81457541
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 80660201
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 125024711
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
[3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone
CID 121184939
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone
CID 71643824
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone (CID 59657975) is (3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone is NC1CCN(C(=O)c2ccccn2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone?
The InChIKey is GOJYQFWQFJESHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-8-4-6-13(7-8)10(14)9-3-1-2-5-12-9/h1-3,5,8H,4,6-7,11H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone?
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone has a molecular weight of 191.23 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 59657975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).