7-amino-6-oxo-9-pyridin-3-ylbenzo[c]chromene-8-carbonitrile

C19H11N3O2 — CID 2817118

IUPAC7-amino-6-oxo-9-pyridin-3-ylbenzo[c]chromene-8-carbonitrile
SMILESN#Cc1c(-c2cccnc2)cc2c(c1N)c(=O)oc1ccccc12
InChIInChI=1S/C19H11N3O2/c20-9-15-13(11-4-3-7-22-10-11)8-14-12-5-1-2-6-16(12)24-19(23)17(14)18(15)21/h1-8,10H,21H2
InChIKeyUHIJFCYYBAKXJO-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.46
Rot. Bonds1

About 7-amino-6-oxo-9-pyridin-3-ylbenzo[c]chromene-8-carbonitrile

7-amino-6-oxo-9-pyridin-3-ylbenzo[c]chromene-8-carbonitrile (PubChem CID 2817118) has the molecular formula C19H11N3O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 7-amino-6-oxo-9-pyridin-3-ylbenzo[c]chromene-8-carbonitrile.

Molecular Properties

Compound Name7-amino-6-oxo-9-pyridin-3-ylbenzo[c]chromene-8-carbonitrile
PubChem CID2817118
Molecular FormulaC19H11N3O2
Molecular Weight313.32 g/mol
Exact Mass313.09
IUPAC Name7-amino-6-oxo-9-pyridin-3-ylbenzo[c]chromene-8-carbonitrile
SMILESN#Cc1c(-c2cccnc2)cc2c(c1N)c(=O)oc1ccccc12
InChIInChI=1S/C19H11N3O2/c20-9-15-13(11-4-3-7-22-10-11)8-14-12-5-1-2-6-16(12)24-19(23)17(14)18(15)21/h1-8,10H,21H2
InChIKeyUHIJFCYYBAKXJO-UHFFFAOYSA-N
XLogP3.46
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-amino-6-oxo-9-pyridin-3-ylbenzo[c]chromene-8-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

4-amino-2-pyridin-3-ylchromeno[4,3-d]pyrimidin-5-one
CID 685105
2-pyridin-3-ylnaphthalene-1-carbonitrile
CID 71514388
2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 164625158
3,5-dipyridin-3-ylpyridine-4-carbonitrile
CID 46316354
4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile
CID 140966591
3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tripyridin-3-ylbenzonitrile
CID 140966566
2,4-diamino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
CID 71372426
1,6-dimethyl-2-oxo-4-pyridin-3-ylpyridine-3-carbonitrile
CID 82080782
2-amino-6-(2-bromophenyl)-4-pyridin-3-ylpyridine-3-carbonitrile
CID 5117531
3-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)pyridine
CID 138650801
3-amino-6-phenyl-4-pyridin-3-ylthieno[2,3-b]pyridine-2-carbonitrile
CID 10664042
3-(2-phenyl-1-benzofuran-4-yl)pyridine
CID 132511455

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-oxo-9-pyridin-3-ylbenzo[c]chromene-8-carbonitrile?
The IUPAC name of 7-amino-6-oxo-9-pyridin-3-ylbenzo[c]chromene-8-carbonitrile (CID 2817118) is 7-amino-6-oxo-9-pyridin-3-ylbenzo[c]chromene-8-carbonitrile.
What is the SMILES notation for 7-amino-6-oxo-9-pyridin-3-ylbenzo[c]chromene-8-carbonitrile?
The canonical SMILES for 7-amino-6-oxo-9-pyridin-3-ylbenzo[c]chromene-8-carbonitrile is N#Cc1c(-c2cccnc2)cc2c(c1N)c(=O)oc1ccccc12.
What is the InChIKey of 7-amino-6-oxo-9-pyridin-3-ylbenzo[c]chromene-8-carbonitrile?
The InChIKey is UHIJFCYYBAKXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O2/c20-9-15-13(11-4-3-7-22-10-11)8-14-12-5-1-2-6-16(12)24-19(23)17(14)18(15)21/h1-8,10H,21H2.
What are the key properties of 7-amino-6-oxo-9-pyridin-3-ylbenzo[c]chromene-8-carbonitrile?
7-amino-6-oxo-9-pyridin-3-ylbenzo[c]chromene-8-carbonitrile has a molecular weight of 313.32 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-oxo-9-pyridin-3-ylbenzo[c]chromene-8-carbonitrile is sourced from PubChem (CID 2817118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).