[3-anilino-2-(benzylamino)-7-methylfuro[2,3-c]pyridin-4-yl]methanol

C22H21N3O2 — CID 70677106

IUPAC[3-anilino-2-(benzylamino)-7-methylfuro[2,3-c]pyridin-4-yl]methanol
SMILESCc1ncc(CO)c2c(Nc3ccccc3)c(NCc3ccccc3)oc12
InChIInChI=1S/C22H21N3O2/c1-15-21-19(17(14-26)13-23-15)20(25-18-10-6-3-7-11-18)22(27-21)24-12-16-8-4-2-5-9-16/h2-11,13,24-26H,12,14H2,1H3
InChIKeyLCAHLFBLZDITHD-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.98
Rot. Bonds6

About [3-anilino-2-(benzylamino)-7-methylfuro[2,3-c]pyridin-4-yl]methanol

[3-anilino-2-(benzylamino)-7-methylfuro[2,3-c]pyridin-4-yl]methanol (PubChem CID 70677106) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is [3-anilino-2-(benzylamino)-7-methylfuro[2,3-c]pyridin-4-yl]methanol.

Molecular Properties

Compound Name[3-anilino-2-(benzylamino)-7-methylfuro[2,3-c]pyridin-4-yl]methanol
PubChem CID70677106
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name[3-anilino-2-(benzylamino)-7-methylfuro[2,3-c]pyridin-4-yl]methanol
SMILESCc1ncc(CO)c2c(Nc3ccccc3)c(NCc3ccccc3)oc12
InChIInChI=1S/C22H21N3O2/c1-15-21-19(17(14-26)13-23-15)20(25-18-10-6-3-7-11-18)22(27-21)24-12-16-8-4-2-5-9-16/h2-11,13,24-26H,12,14H2,1H3
InChIKeyLCAHLFBLZDITHD-UHFFFAOYSA-N
XLogP4.98
TPSA70.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-anilino-2-(benzylamino)-7-methylfuro[2,3-c]pyridin-4-yl]methanol?
The IUPAC name of [3-anilino-2-(benzylamino)-7-methylfuro[2,3-c]pyridin-4-yl]methanol (CID 70677106) is [3-anilino-2-(benzylamino)-7-methylfuro[2,3-c]pyridin-4-yl]methanol.
What is the SMILES notation for [3-anilino-2-(benzylamino)-7-methylfuro[2,3-c]pyridin-4-yl]methanol?
The canonical SMILES for [3-anilino-2-(benzylamino)-7-methylfuro[2,3-c]pyridin-4-yl]methanol is Cc1ncc(CO)c2c(Nc3ccccc3)c(NCc3ccccc3)oc12.
What is the InChIKey of [3-anilino-2-(benzylamino)-7-methylfuro[2,3-c]pyridin-4-yl]methanol?
The InChIKey is LCAHLFBLZDITHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-21-19(17(14-26)13-23-15)20(25-18-10-6-3-7-11-18)22(27-21)24-12-16-8-4-2-5-9-16/h2-11,13,24-26H,12,14H2,1H3.
What are the key properties of [3-anilino-2-(benzylamino)-7-methylfuro[2,3-c]pyridin-4-yl]methanol?
[3-anilino-2-(benzylamino)-7-methylfuro[2,3-c]pyridin-4-yl]methanol has a molecular weight of 359.43 g/mol, XLogP of 4.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-anilino-2-(benzylamino)-7-methylfuro[2,3-c]pyridin-4-yl]methanol is sourced from PubChem (CID 70677106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).