(1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol

C14H18N2O2 — CID 97249673

IUPAC(1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol
SMILESC[C@H](C[C@H](O)c1ccco1)NCc1ccncc1
InChIInChI=1S/C14H18N2O2/c1-11(9-13(17)14-3-2-8-18-14)16-10-12-4-6-15-7-5-12/h2-8,11,13,16-17H,9-10H2,1H3/t11-,13+/m1/s1
InChIKeyMGKAQXSFFUXOMM-YPMHNXCESA-N
MW246.31 g/mol
LogP2.28
Rot. Bonds6

About (1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol

(1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol (PubChem CID 97249673) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name(1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol
PubChem CID97249673
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol
SMILESC[C@H](C[C@H](O)c1ccco1)NCc1ccncc1
InChIInChI=1S/C14H18N2O2/c1-11(9-13(17)14-3-2-8-18-14)16-10-12-4-6-15-7-5-12/h2-8,11,13,16-17H,9-10H2,1H3/t11-,13+/m1/s1
InChIKeyMGKAQXSFFUXOMM-YPMHNXCESA-N
XLogP2.28
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60721044
(1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol
CID 100666938
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 75379962
(1S,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975773
1-(furan-2-yl)pentane-1,3,4-triol
CID 175602784
(1R,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975775
3-(benzylamino)-1-phenylbutan-1-ol
CID 70615080
1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea
CID 97225262
(1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol
CID 97250105
1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 97225250
(1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol
CID 97082119

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol?
The IUPAC name of (1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol (CID 97249673) is (1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol.
What is the SMILES notation for (1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol?
The canonical SMILES for (1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol is C[C@H](C[C@H](O)c1ccco1)NCc1ccncc1.
What is the InChIKey of (1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol?
The InChIKey is MGKAQXSFFUXOMM-YPMHNXCESA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11(9-13(17)14-3-2-8-18-14)16-10-12-4-6-15-7-5-12/h2-8,11,13,16-17H,9-10H2,1H3/t11-,13+/m1/s1.
What are the key properties of (1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol?
(1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol is sourced from PubChem (CID 97249673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).