[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone

C11H15N3O — CID 62063206

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESNCC1CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C11H15N3O/c12-7-9-4-6-14(8-9)11(15)10-3-1-2-5-13-10/h1-3,5,9H,4,6-8,12H2
InChIKeyFSVKOXGOZLDMTK-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.50
Rot. Bonds2

About [3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone

[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 62063206) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID62063206
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESNCC1CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C11H15N3O/c12-7-9-4-6-14(8-9)11(15)10-3-1-2-5-13-10/h1-3,5,9H,4,6-8,12H2
InChIKeyFSVKOXGOZLDMTK-UHFFFAOYSA-N
XLogP0.50
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 125024711
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 80660201
(4-amino-3-ethylpiperidin-1-yl)-pyridin-2-ylmethanone
CID 81457541
[3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone
CID 121184939
N-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210341
[3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110661869
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845120

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 62063206) is [3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone is NCC1CCN(C(=O)c2ccccn2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is FSVKOXGOZLDMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-7-9-4-6-14(8-9)11(15)10-3-1-2-5-13-10/h1-3,5,9H,4,6-8,12H2.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 205.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 62063206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).