3-[(furo[3,2-c]pyridin-2-ylmethylamino)methyl]-1-methylpyrrolidin-3-ol

C14H19N3O2 — CID 154842269

IUPAC3-[(furo[3,2-c]pyridin-2-ylmethylamino)methyl]-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(CNCc2cc3cnccc3o2)C1
InChIInChI=1S/C14H19N3O2/c1-17-5-3-14(18,10-17)9-16-8-12-6-11-7-15-4-2-13(11)19-12/h2,4,6-7,16,18H,3,5,8-10H2,1H3
InChIKeyMOCPBKQAABBKBL-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.98
Rot. Bonds4

About 3-[(furo[3,2-c]pyridin-2-ylmethylamino)methyl]-1-methylpyrrolidin-3-ol

3-[(furo[3,2-c]pyridin-2-ylmethylamino)methyl]-1-methylpyrrolidin-3-ol (PubChem CID 154842269) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[(furo[3,2-c]pyridin-2-ylmethylamino)methyl]-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(furo[3,2-c]pyridin-2-ylmethylamino)methyl]-1-methylpyrrolidin-3-ol
PubChem CID154842269
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[(furo[3,2-c]pyridin-2-ylmethylamino)methyl]-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(CNCc2cc3cnccc3o2)C1
InChIInChI=1S/C14H19N3O2/c1-17-5-3-14(18,10-17)9-16-8-12-6-11-7-15-4-2-13(11)19-12/h2,4,6-7,16,18H,3,5,8-10H2,1H3
InChIKeyMOCPBKQAABBKBL-UHFFFAOYSA-N
XLogP0.98
TPSA61.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol
CID 78928712
4-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]thian-4-ol
CID 111778111
(3R)-3-(2,3-dimethylphenyl)-3-(furo[3,2-c]pyridin-2-ylmethylamino)propanoic acid
CID 166240271
1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 62976161
bromo-(furo[3,2-c]pyridin-2-ylmethyl)-triphenyl-λ5-phosphane
CID 140535120
[1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol
CID 111579350
1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115558
1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol
CID 65123185
[1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol
CID 111778122
3-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol
CID 104737517
4-furo[3,2-c]pyridin-2-ylbenzoic acid
CID 18617783
methyl 4-furo[3,2-c]pyridin-2-ylbenzoate
CID 54351307

Frequently Asked Questions

What is the IUPAC name of 3-[(furo[3,2-c]pyridin-2-ylmethylamino)methyl]-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-[(furo[3,2-c]pyridin-2-ylmethylamino)methyl]-1-methylpyrrolidin-3-ol (CID 154842269) is 3-[(furo[3,2-c]pyridin-2-ylmethylamino)methyl]-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-[(furo[3,2-c]pyridin-2-ylmethylamino)methyl]-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-[(furo[3,2-c]pyridin-2-ylmethylamino)methyl]-1-methylpyrrolidin-3-ol is CN1CCC(O)(CNCc2cc3cnccc3o2)C1.
What is the InChIKey of 3-[(furo[3,2-c]pyridin-2-ylmethylamino)methyl]-1-methylpyrrolidin-3-ol?
The InChIKey is MOCPBKQAABBKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17-5-3-14(18,10-17)9-16-8-12-6-11-7-15-4-2-13(11)19-12/h2,4,6-7,16,18H,3,5,8-10H2,1H3.
What are the key properties of 3-[(furo[3,2-c]pyridin-2-ylmethylamino)methyl]-1-methylpyrrolidin-3-ol?
3-[(furo[3,2-c]pyridin-2-ylmethylamino)methyl]-1-methylpyrrolidin-3-ol has a molecular weight of 261.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(furo[3,2-c]pyridin-2-ylmethylamino)methyl]-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 154842269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).