2,2-dimethyl-4-pyridin-4-ylchromene-6-carbonitrile

C17H14N2O — CID 15681331

IUPAC2,2-dimethyl-4-pyridin-4-ylchromene-6-carbonitrile
SMILESCC1(C)C=C(c2ccncc2)c2cc(C#N)ccc2O1
InChIInChI=1S/C17H14N2O/c1-17(2)10-15(13-5-7-19-8-6-13)14-9-12(11-18)3-4-16(14)20-17/h3-10H,1-2H3
InChIKeyKMDCYRRMCAJGGF-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.56
Rot. Bonds1

About 2,2-dimethyl-4-pyridin-4-ylchromene-6-carbonitrile

2,2-dimethyl-4-pyridin-4-ylchromene-6-carbonitrile (PubChem CID 15681331) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2,2-dimethyl-4-pyridin-4-ylchromene-6-carbonitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-pyridin-4-ylchromene-6-carbonitrile
PubChem CID15681331
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2,2-dimethyl-4-pyridin-4-ylchromene-6-carbonitrile
SMILESCC1(C)C=C(c2ccncc2)c2cc(C#N)ccc2O1
InChIInChI=1S/C17H14N2O/c1-17(2)10-15(13-5-7-19-8-6-13)14-9-12(11-18)3-4-16(14)20-17/h3-10H,1-2H3
InChIKeyKMDCYRRMCAJGGF-UHFFFAOYSA-N
XLogP3.56
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-4-pyridin-4-ylchromene-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Phenoxynicotinonitrile
CID 84242
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
Ro 31-6930
CID 3036546
4-(Pyridin-3-yloxy)benzonitrile
CID 43137984
RG 13022
CID 5468216
4-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539798
(4-Pyridylmethylene)tetrahydronaphthalene 14b
CID 6539799
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049
3-(7-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540057
3-(6-Ethoxynaphthalen-2-yl)pyridine
CID 11557864
US10155760, Example 36
CID 118420147
US10155760, Example 43
CID 118420203

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-pyridin-4-ylchromene-6-carbonitrile?
The IUPAC name of 2,2-dimethyl-4-pyridin-4-ylchromene-6-carbonitrile (CID 15681331) is 2,2-dimethyl-4-pyridin-4-ylchromene-6-carbonitrile.
What is the SMILES notation for 2,2-dimethyl-4-pyridin-4-ylchromene-6-carbonitrile?
The canonical SMILES for 2,2-dimethyl-4-pyridin-4-ylchromene-6-carbonitrile is CC1(C)C=C(c2ccncc2)c2cc(C#N)ccc2O1.
What is the InChIKey of 2,2-dimethyl-4-pyridin-4-ylchromene-6-carbonitrile?
The InChIKey is KMDCYRRMCAJGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-17(2)10-15(13-5-7-19-8-6-13)14-9-12(11-18)3-4-16(14)20-17/h3-10H,1-2H3.
What are the key properties of 2,2-dimethyl-4-pyridin-4-ylchromene-6-carbonitrile?
2,2-dimethyl-4-pyridin-4-ylchromene-6-carbonitrile has a molecular weight of 262.31 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-pyridin-4-ylchromene-6-carbonitrile is sourced from PubChem (CID 15681331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).