(3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone

C16H13ClN2O3 — CID 50896332

IUPAC(3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone
SMILESCOc1cc(C)c2c(N)c(C(=O)c3ccc(Cl)cc3)oc2n1
InChIInChI=1S/C16H13ClN2O3/c1-8-7-11(21-2)19-16-12(8)13(18)15(22-16)14(20)9-3-5-10(17)6-4-9/h3-7H,18H2,1-2H3
InChIKeyVYNVARRTTQSCAP-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.61
Rot. Bonds3

About (3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone

(3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone (PubChem CID 50896332) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is (3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone
PubChem CID50896332
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name(3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone
SMILESCOc1cc(C)c2c(N)c(C(=O)c3ccc(Cl)cc3)oc2n1
InChIInChI=1S/C16H13ClN2O3/c1-8-7-11(21-2)19-16-12(8)13(18)15(22-16)14(20)9-3-5-10(17)6-4-9/h3-7H,18H2,1-2H3
InChIKeyVYNVARRTTQSCAP-UHFFFAOYSA-N
XLogP3.61
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone (CID 50896332) is (3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone is COc1cc(C)c2c(N)c(C(=O)c3ccc(Cl)cc3)oc2n1.
What is the InChIKey of (3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone?
The InChIKey is VYNVARRTTQSCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-8-7-11(21-2)19-16-12(8)13(18)15(22-16)14(20)9-3-5-10(17)6-4-9/h3-7H,18H2,1-2H3.
What are the key properties of (3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone?
(3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone has a molecular weight of 316.74 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 50896332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).