2-(dimethoxymethyl)-2-methyl-4-pyridin-4-ylchromene-6-carbonitrile

C19H18N2O3 — CID 18987742

IUPAC2-(dimethoxymethyl)-2-methyl-4-pyridin-4-ylchromene-6-carbonitrile
SMILESCOC(OC)C1(C)C=C(c2ccncc2)c2cc(C#N)ccc2O1
InChIInChI=1S/C19H18N2O3/c1-19(18(22-2)23-3)11-16(14-6-8-21-9-7-14)15-10-13(12-20)4-5-17(15)24-19/h4-11,18H,1-3H3
InChIKeyRLZBMTYUGSPJHU-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.15
Rot. Bonds4

About 2-(dimethoxymethyl)-2-methyl-4-pyridin-4-ylchromene-6-carbonitrile

2-(dimethoxymethyl)-2-methyl-4-pyridin-4-ylchromene-6-carbonitrile (PubChem CID 18987742) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-2-methyl-4-pyridin-4-ylchromene-6-carbonitrile.

Molecular Properties

Compound Name2-(dimethoxymethyl)-2-methyl-4-pyridin-4-ylchromene-6-carbonitrile
PubChem CID18987742
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-(dimethoxymethyl)-2-methyl-4-pyridin-4-ylchromene-6-carbonitrile
SMILESCOC(OC)C1(C)C=C(c2ccncc2)c2cc(C#N)ccc2O1
InChIInChI=1S/C19H18N2O3/c1-19(18(22-2)23-3)11-16(14-6-8-21-9-7-14)15-10-13(12-20)4-5-17(15)24-19/h4-11,18H,1-3H3
InChIKeyRLZBMTYUGSPJHU-UHFFFAOYSA-N
XLogP3.15
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-2-methyl-4-pyridin-4-ylchromene-6-carbonitrile?
The IUPAC name of 2-(dimethoxymethyl)-2-methyl-4-pyridin-4-ylchromene-6-carbonitrile (CID 18987742) is 2-(dimethoxymethyl)-2-methyl-4-pyridin-4-ylchromene-6-carbonitrile.
What is the SMILES notation for 2-(dimethoxymethyl)-2-methyl-4-pyridin-4-ylchromene-6-carbonitrile?
The canonical SMILES for 2-(dimethoxymethyl)-2-methyl-4-pyridin-4-ylchromene-6-carbonitrile is COC(OC)C1(C)C=C(c2ccncc2)c2cc(C#N)ccc2O1.
What is the InChIKey of 2-(dimethoxymethyl)-2-methyl-4-pyridin-4-ylchromene-6-carbonitrile?
The InChIKey is RLZBMTYUGSPJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-19(18(22-2)23-3)11-16(14-6-8-21-9-7-14)15-10-13(12-20)4-5-17(15)24-19/h4-11,18H,1-3H3.
What are the key properties of 2-(dimethoxymethyl)-2-methyl-4-pyridin-4-ylchromene-6-carbonitrile?
2-(dimethoxymethyl)-2-methyl-4-pyridin-4-ylchromene-6-carbonitrile has a molecular weight of 322.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-2-methyl-4-pyridin-4-ylchromene-6-carbonitrile is sourced from PubChem (CID 18987742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).