N-[[(2S)-oxolan-2-yl]methyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine

C24H22N2O2 — CID 11603130

IUPACN-[[(2S)-oxolan-2-yl]methyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine
SMILESc1ccc(-c2oc3nccc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O2/c1-3-8-17(9-4-1)21-22-20(26-16-19-12-7-15-27-19)13-14-25-24(22)28-23(21)18-10-5-2-6-11-18/h1-6,8-11,13-14,19H,7,12,15-16H2,(H,25,26)/t19-/m0/s1
InChIKeyBDRDZIHCMNAENW-IBGZPJMESA-N
MW370.45 g/mol
LogP5.75
Rot. Bonds5

About N-[[(2S)-oxolan-2-yl]methyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine

N-[[(2S)-oxolan-2-yl]methyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine (PubChem CID 11603130) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine
PubChem CID11603130
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine
SMILESc1ccc(-c2oc3nccc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O2/c1-3-8-17(9-4-1)21-22-20(26-16-19-12-7-15-27-19)13-14-25-24(22)28-23(21)18-10-5-2-6-11-18/h1-6,8-11,13-14,19H,7,12,15-16H2,(H,25,26)/t19-/m0/s1
InChIKeyBDRDZIHCMNAENW-IBGZPJMESA-N
XLogP5.75
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine (CID 11603130) is N-[[(2S)-oxolan-2-yl]methyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine is c1ccc(-c2oc3nccc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine?
The InChIKey is BDRDZIHCMNAENW-IBGZPJMESA-N. The full InChI is InChI=1S/C24H22N2O2/c1-3-8-17(9-4-1)21-22-20(26-16-19-12-7-15-27-19)13-14-25-24(22)28-23(21)18-10-5-2-6-11-18/h1-6,8-11,13-14,19H,7,12,15-16H2,(H,25,26)/t19-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine?
N-[[(2S)-oxolan-2-yl]methyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine has a molecular weight of 370.45 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine is sourced from PubChem (CID 11603130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).