(1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol

C14H18N2O2 — CID 100666938

IUPAC(1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol
SMILESCc1ccnc(N[C@H](C)C[C@H](O)c2ccco2)c1
InChIInChI=1S/C14H18N2O2/c1-10-5-6-15-14(8-10)16-11(2)9-12(17)13-4-3-7-18-13/h3-8,11-12,17H,9H2,1-2H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyQCORGAKFCVDFRZ-NEPJUHHUSA-N
MW246.31 g/mol
LogP2.91
Rot. Bonds5

About (1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol

(1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol (PubChem CID 100666938) 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-[(4-methyl-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name(1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol
PubChem CID100666938
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol
SMILESCc1ccnc(N[C@H](C)C[C@H](O)c2ccco2)c1
InChIInChI=1S/C14H18N2O2/c1-10-5-6-15-14(8-10)16-11(2)9-12(17)13-4-3-7-18-13/h3-8,11-12,17H,9H2,1-2H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyQCORGAKFCVDFRZ-NEPJUHHUSA-N
XLogP2.91
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol with MolForge

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Related Compounds

(1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol
CID 97250105
3-[(6,8-difluoroquinolin-4-yl)amino]-1-(furan-2-yl)butan-1-ol
CID 133494569
N-(4-chlorobutan-2-yl)-4-methylpyridin-2-amine
CID 83188560
(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
(1S,3R)-1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)butan-1-ol
CID 97249673
1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea
CID 97225262
N-(4-methoxybutan-2-yl)-4-methylpyridin-2-amine
CID 64604062
1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 97225250
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-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol
CID 110011129
(1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
CID 129430023

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of (1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol (CID 100666938) is (1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for (1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for (1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol is Cc1ccnc(N[C@H](C)C[C@H](O)c2ccco2)c1.
What is the InChIKey of (1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol?
The InChIKey is QCORGAKFCVDFRZ-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-5-6-15-14(8-10)16-11(2)9-12(17)13-4-3-7-18-13/h3-8,11-12,17H,9H2,1-2H3,(H,15,16)/t11-,12+/m1/s1.
What are the key properties of (1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol?
(1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 2.91, 5 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-[(4-methyl-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 100666938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).