(6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C11H15N3O2 — CID 112628622

IUPAC(6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCC(CO)C2)cn1
InChIInChI=1S/C11H15N3O2/c12-10-2-1-9(5-13-10)11(16)14-4-3-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2,(H2,12,13)
InChIKeyXUVVFVKVRWMJCE-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.12
Rot. Bonds2

About (6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

(6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 112628622) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID112628622
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCC(CO)C2)cn1
InChIInChI=1S/C11H15N3O2/c12-10-2-1-9(5-13-10)11(16)14-4-3-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2,(H2,12,13)
InChIKeyXUVVFVKVRWMJCE-UHFFFAOYSA-N
XLogP0.12
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62151239
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129367707
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-amino-3-pyridinyl)methanone
CID 55037357
(6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 95026394
(6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 70706949
(6-amino-3-pyridinyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70772604
(6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 141132994
2H-benzotriazol-5-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371858
[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 129415328
4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid
CID 86641079
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55065169
(3,4-diethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348611

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 112628622) is (6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is Nc1ccc(C(=O)N2CCC(CO)C2)cn1.
What is the InChIKey of (6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is XUVVFVKVRWMJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-10-2-1-9(5-13-10)11(16)14-4-3-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2,(H2,12,13).
What are the key properties of (6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 221.26 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112628622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).