1-[4-(aminomethyl)-6-methyl-2-pyridinyl]pyrrolidine-3,4-diol

C11H17N3O2 — CID 106667672

IUPAC1-[4-(aminomethyl)-6-methyl-2-pyridinyl]pyrrolidine-3,4-diol
SMILESCc1cc(CN)cc(N2CC(O)C(O)C2)n1
InChIInChI=1S/C11H17N3O2/c1-7-2-8(4-12)3-11(13-7)14-5-9(15)10(16)6-14/h2-3,9-10,15-16H,4-6,12H2,1H3
InChIKeyWFBALSAYVUFIPG-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.61
Rot. Bonds2

About 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]pyrrolidine-3,4-diol

1-[4-(aminomethyl)-6-methyl-2-pyridinyl]pyrrolidine-3,4-diol (PubChem CID 106667672) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-6-methyl-2-pyridinyl]pyrrolidine-3,4-diol
PubChem CID106667672
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[4-(aminomethyl)-6-methyl-2-pyridinyl]pyrrolidine-3,4-diol
SMILESCc1cc(CN)cc(N2CC(O)C(O)C2)n1
InChIInChI=1S/C11H17N3O2/c1-7-2-8(4-12)3-11(13-7)14-5-9(15)10(16)6-14/h2-3,9-10,15-16H,4-6,12H2,1H3
InChIKeyWFBALSAYVUFIPG-UHFFFAOYSA-N
XLogP-0.61
TPSA82.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide
CID 114765128
[2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine
CID 113379380
1-[4-(aminomethyl)-6-methyl-2-pyridinyl]-6-methylpiperidine-3-carboxamide
CID 114765163
1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674481
1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674413
[2-(3,4-dimethylpyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine
CID 113381419
tert-butyl 4-[4-(aminomethyl)-6-methyl-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 104969562
[4-(aminomethyl)-6-methyl-2-pyridinyl]methanol
CID 11528375
[2-(azocan-1-yl)-6-methyl-4-pyridinyl]methanol
CID 113378723
[2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine
CID 103539567
1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106667658
(2-cyclopropyl-6-methyl-4-pyridinyl)methanamine;hydrochloride
CID 138109557

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]pyrrolidine-3,4-diol (CID 106667672) is 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]pyrrolidine-3,4-diol is Cc1cc(CN)cc(N2CC(O)C(O)C2)n1.
What is the InChIKey of 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]pyrrolidine-3,4-diol?
The InChIKey is WFBALSAYVUFIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-2-8(4-12)3-11(13-7)14-5-9(15)10(16)6-14/h2-3,9-10,15-16H,4-6,12H2,1H3.
What are the key properties of 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]pyrrolidine-3,4-diol?
1-[4-(aminomethyl)-6-methyl-2-pyridinyl]pyrrolidine-3,4-diol has a molecular weight of 223.28 g/mol, XLogP of -0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106667672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).