(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-phenylmethanone

C16H14N2O2 — CID 661617

IUPAC(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-phenylmethanone
SMILESCc1cc(C)c2c(N)c(C(=O)c3ccccc3)oc2n1
InChIInChI=1S/C16H14N2O2/c1-9-8-10(2)18-16-12(9)13(17)15(20-16)14(19)11-6-4-3-5-7-11/h3-8H,17H2,1-2H3
InChIKeyXZMKCHCODYEMPF-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.26
Rot. Bonds2

About (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-phenylmethanone

(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-phenylmethanone (PubChem CID 661617) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-phenylmethanone
PubChem CID661617
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-phenylmethanone
SMILESCc1cc(C)c2c(N)c(C(=O)c3ccccc3)oc2n1
InChIInChI=1S/C16H14N2O2/c1-9-8-10(2)18-16-12(9)13(17)15(20-16)14(19)11-6-4-3-5-7-11/h3-8H,17H2,1-2H3
InChIKeyXZMKCHCODYEMPF-UHFFFAOYSA-N
XLogP3.26
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-phenylmethanone?
The IUPAC name of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-phenylmethanone (CID 661617) is (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-phenylmethanone.
What is the SMILES notation for (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-phenylmethanone?
The canonical SMILES for (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-phenylmethanone is Cc1cc(C)c2c(N)c(C(=O)c3ccccc3)oc2n1.
What is the InChIKey of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-phenylmethanone?
The InChIKey is XZMKCHCODYEMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-9-8-10(2)18-16-12(9)13(17)15(20-16)14(19)11-6-4-3-5-7-11/h3-8H,17H2,1-2H3.
What are the key properties of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-phenylmethanone?
(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-phenylmethanone has a molecular weight of 266.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-phenylmethanone is sourced from PubChem (CID 661617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).