4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol

C16H19N3O2 — CID 43676426

IUPAC4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol
SMILESOc1ccc(CNc2cccnc2N2CCCC2)cc1O
InChIInChI=1S/C16H19N3O2/c20-14-6-5-12(10-15(14)21)11-18-13-4-3-7-17-16(13)19-8-1-2-9-19/h3-7,10,18,20-21H,1-2,8-9,11H2
InChIKeyAPMYDWJZCHHUBX-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.71
Rot. Bonds4

About 4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol

4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol (PubChem CID 43676426) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol
PubChem CID43676426
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol
SMILESOc1ccc(CNc2cccnc2N2CCCC2)cc1O
InChIInChI=1S/C16H19N3O2/c20-14-6-5-12(10-15(14)21)11-18-13-4-3-7-17-16(13)19-8-1-2-9-19/h3-7,10,18,20-21H,1-2,8-9,11H2
InChIKeyAPMYDWJZCHHUBX-UHFFFAOYSA-N
XLogP2.71
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]phenol
CID 63045195
N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676391
4-fluoro-2-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]phenol
CID 103947898
2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64831402
4-[(4-pyrrolidin-1-ylanilino)methyl]benzene-1,2-diol
CID 43732176
2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine
CID 55060167
N-(furan-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676420
N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 66384847
N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 62761986
N-[(5-methylfuran-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676423
N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676368
1-[3-[(3-phenylphenyl)methylamino]-2-pyridinyl]piperidin-4-ol
CID 75391244

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol?
The IUPAC name of 4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol (CID 43676426) is 4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol is Oc1ccc(CNc2cccnc2N2CCCC2)cc1O.
What is the InChIKey of 4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol?
The InChIKey is APMYDWJZCHHUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-14-6-5-12(10-15(14)21)11-18-13-4-3-7-17-16(13)19-8-1-2-9-19/h3-7,10,18,20-21H,1-2,8-9,11H2.
What are the key properties of 4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol?
4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol has a molecular weight of 285.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol is sourced from PubChem (CID 43676426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).