2-amino-4-(ethylamino)-7,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile

C15H14N4O3 — CID 10086032

IUPAC2-amino-4-(ethylamino)-7,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESCCNc1c(C#N)c(N)nc2c1Cc1cc(O)c(O)cc1O2
InChIInChI=1S/C15H14N4O3/c1-2-18-13-8-3-7-4-10(20)11(21)5-12(7)22-15(8)19-14(17)9(13)6-16/h4-5,20-21H,2-3H2,1H3,(H3,17,18,19)
InChIKeyFFVXEZUNPNKALA-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.07
Rot. Bonds2

About 2-amino-4-(ethylamino)-7,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile

2-amino-4-(ethylamino)-7,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 10086032) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-amino-4-(ethylamino)-7,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(ethylamino)-7,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID10086032
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name2-amino-4-(ethylamino)-7,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESCCNc1c(C#N)c(N)nc2c1Cc1cc(O)c(O)cc1O2
InChIInChI=1S/C15H14N4O3/c1-2-18-13-8-3-7-4-10(20)11(21)5-12(7)22-15(8)19-14(17)9(13)6-16/h4-5,20-21H,2-3H2,1H3,(H3,17,18,19)
InChIKeyFFVXEZUNPNKALA-UHFFFAOYSA-N
XLogP2.07
TPSA124.42 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(ethylamino)-7,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(ethylamino)-7,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile (CID 10086032) is 2-amino-4-(ethylamino)-7,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(ethylamino)-7,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(ethylamino)-7,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile is CCNc1c(C#N)c(N)nc2c1Cc1cc(O)c(O)cc1O2.
What is the InChIKey of 2-amino-4-(ethylamino)-7,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is FFVXEZUNPNKALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-2-18-13-8-3-7-4-10(20)11(21)5-12(7)22-15(8)19-14(17)9(13)6-16/h4-5,20-21H,2-3H2,1H3,(H3,17,18,19).
What are the key properties of 2-amino-4-(ethylamino)-7,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
2-amino-4-(ethylamino)-7,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 298.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(ethylamino)-7,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 10086032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).