(1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol

C15H16N2O3 — CID 97250105

IUPAC(1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol
SMILESC[C@@H](C[C@H](O)c1ccco1)Nc1nccc2occc12
InChIInChI=1S/C15H16N2O3/c1-10(9-12(18)14-3-2-7-19-14)17-15-11-5-8-20-13(11)4-6-16-15/h2-8,10,12,18H,9H2,1H3,(H,16,17)/t10-,12-/m0/s1
InChIKeyYQNSRHIJNFEWLI-JQWIXIFHSA-N
MW272.30 g/mol
LogP3.34
Rot. Bonds5

About (1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol

(1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol (PubChem CID 97250105) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol.

Molecular Properties

Compound Name(1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol
PubChem CID97250105
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol
SMILESC[C@@H](C[C@H](O)c1ccco1)Nc1nccc2occc12
InChIInChI=1S/C15H16N2O3/c1-10(9-12(18)14-3-2-7-19-14)17-15-11-5-8-20-13(11)4-6-16-15/h2-8,10,12,18H,9H2,1H3,(H,16,17)/t10-,12-/m0/s1
InChIKeyYQNSRHIJNFEWLI-JQWIXIFHSA-N
XLogP3.34
TPSA71.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol with MolForge

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Related Compounds

N-[1-(furan-2-yl)ethyl]furo[3,2-c]pyridin-4-amine
CID 103702484
2-(furo[3,2-c]pyridin-4-ylamino)propan-1-ol
CID 103729109
N-[1-(furan-2-yl)propan-2-yl]furo[3,2-c]pyridin-4-amine
CID 113243688
3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol
CID 103703297
(1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol
CID 100666938
3-[(6,8-difluoroquinolin-4-yl)amino]-1-(furan-2-yl)butan-1-ol
CID 133494569
N-(1-pyrrolidin-1-ylpropan-2-yl)furo[3,2-c]pyridin-4-amine
CID 103702723
3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol
CID 133404351
N-(3-methylpentan-2-yl)furo[3,2-c]pyridin-4-amine
CID 103819957
N-[1-(5-methylthiophen-2-yl)propan-2-yl]furo[3,2-c]pyridin-4-amine
CID 103703296
N-[1-(4-methylphenoxy)propan-2-yl]furo[3,2-c]pyridin-4-amine
CID 103911732
N-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine
CID 106535732

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol?
The IUPAC name of (1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol (CID 97250105) is (1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol.
What is the SMILES notation for (1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol?
The canonical SMILES for (1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol is C[C@@H](C[C@H](O)c1ccco1)Nc1nccc2occc12.
What is the InChIKey of (1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol?
The InChIKey is YQNSRHIJNFEWLI-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10(9-12(18)14-3-2-7-19-14)17-15-11-5-8-20-13(11)4-6-16-15/h2-8,10,12,18H,9H2,1H3,(H,16,17)/t10-,12-/m0/s1.
What are the key properties of (1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol?
(1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol has a molecular weight of 272.30 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol is sourced from PubChem (CID 97250105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).