1-[3-(aminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol

C10H15N3O2 — CID 106667702

IUPAC1-[3-(aminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol
SMILESNCc1cccnc1N1CC(O)C(O)C1
InChIInChI=1S/C10H15N3O2/c11-4-7-2-1-3-12-10(7)13-5-8(14)9(15)6-13/h1-3,8-9,14-15H,4-6,11H2
InChIKeyDYYADNHZBXAVJZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.92
Rot. Bonds2

About 1-[3-(aminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol

1-[3-(aminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol (PubChem CID 106667702) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[3-(aminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol
PubChem CID106667702
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[3-(aminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol
SMILESNCc1cccnc1N1CC(O)C(O)C1
InChIInChI=1S/C10H15N3O2/c11-4-7-2-1-3-12-10(7)13-5-8(14)9(15)6-13/h1-3,8-9,14-15H,4-6,11H2
InChIKeyDYYADNHZBXAVJZ-UHFFFAOYSA-N
XLogP-0.92
TPSA82.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl]-3-pyridinyl]methanamine
CID 68583511
[2-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 61223462
[2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine
CID 117045416
[2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 63605164
[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine
CID 68582946
[2-[4-(difluoromethyl)piperidin-1-yl]-3-pyridinyl]methanamine
CID 175948489
[2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine
CID 170875415
[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol
CID 115561195
[1-[3-(aminomethyl)-2-pyridinyl]piperidin-2-yl]methanol
CID 61407036
[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridinyl]methanamine
CID 63013342
[2-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 63603429
[2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 43823491

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[3-(aminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol (CID 106667702) is 1-[3-(aminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[3-(aminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[3-(aminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol is NCc1cccnc1N1CC(O)C(O)C1.
What is the InChIKey of 1-[3-(aminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol?
The InChIKey is DYYADNHZBXAVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-4-7-2-1-3-12-10(7)13-5-8(14)9(15)6-13/h1-3,8-9,14-15H,4-6,11H2.
What are the key properties of 1-[3-(aminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol?
1-[3-(aminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol has a molecular weight of 209.25 g/mol, XLogP of -0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106667702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).