8-(diethylamino)-4-methyl-2-oxochromeno[2,3-b]pyridine-3-carbonitrile

C18H17N3O2 — CID 58473441

IUPAC8-(diethylamino)-4-methyl-2-oxochromeno[2,3-b]pyridine-3-carbonitrile
SMILESCCN(CC)c1ccc2cc3c(C)c(C#N)c(=O)nc-3oc2c1
InChIInChI=1S/C18H17N3O2/c1-4-21(5-2)13-7-6-12-8-14-11(3)15(10-19)17(22)20-18(14)23-16(12)9-13/h6-9H,4-5H2,1-3H3
InChIKeyWVWFZHHUYZKCRC-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.32
Rot. Bonds3

About 8-(diethylamino)-4-methyl-2-oxochromeno[2,3-b]pyridine-3-carbonitrile

8-(diethylamino)-4-methyl-2-oxochromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 58473441) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 8-(diethylamino)-4-methyl-2-oxochromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name8-(diethylamino)-4-methyl-2-oxochromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID58473441
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name8-(diethylamino)-4-methyl-2-oxochromeno[2,3-b]pyridine-3-carbonitrile
SMILESCCN(CC)c1ccc2cc3c(C)c(C#N)c(=O)nc-3oc2c1
InChIInChI=1S/C18H17N3O2/c1-4-21(5-2)13-7-6-12-8-14-11(3)15(10-19)17(22)20-18(14)23-16(12)9-13/h6-9H,4-5H2,1-3H3
InChIKeyWVWFZHHUYZKCRC-UHFFFAOYSA-N
XLogP3.32
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(diethylamino)-4-methyl-2-oxochromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 8-(diethylamino)-4-methyl-2-oxochromeno[2,3-b]pyridine-3-carbonitrile (CID 58473441) is 8-(diethylamino)-4-methyl-2-oxochromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 8-(diethylamino)-4-methyl-2-oxochromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 8-(diethylamino)-4-methyl-2-oxochromeno[2,3-b]pyridine-3-carbonitrile is CCN(CC)c1ccc2cc3c(C)c(C#N)c(=O)nc-3oc2c1.
What is the InChIKey of 8-(diethylamino)-4-methyl-2-oxochromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is WVWFZHHUYZKCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-4-21(5-2)13-7-6-12-8-14-11(3)15(10-19)17(22)20-18(14)23-16(12)9-13/h6-9H,4-5H2,1-3H3.
What are the key properties of 8-(diethylamino)-4-methyl-2-oxochromeno[2,3-b]pyridine-3-carbonitrile?
8-(diethylamino)-4-methyl-2-oxochromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 307.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(diethylamino)-4-methyl-2-oxochromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 58473441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).