2-amino-1',7-dimethyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile

C18H14N4O3 — CID 18886469

IUPAC2-amino-1',7-dimethyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile
SMILESCc1cc2c(c(=O)[nH]1)C1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C18H14N4O3/c1-9-7-13-14(16(23)21-9)18(11(8-19)15(20)25-13)10-5-3-4-6-12(10)22(2)17(18)24/h3-7H,20H2,1-2H3,(H,21,23)
InChIKeyLASABEXRIJAQHS-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.03
Rot. Bonds

About 2-amino-1',7-dimethyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile

2-amino-1',7-dimethyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile (PubChem CID 18886469) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-amino-1',7-dimethyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1',7-dimethyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile
PubChem CID18886469
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name2-amino-1',7-dimethyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile
SMILESCc1cc2c(c(=O)[nH]1)C1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C18H14N4O3/c1-9-7-13-14(16(23)21-9)18(11(8-19)15(20)25-13)10-5-3-4-6-12(10)22(2)17(18)24/h3-7H,20H2,1-2H3,(H,21,23)
InChIKeyLASABEXRIJAQHS-UHFFFAOYSA-N
XLogP1.03
TPSA112.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1',7-dimethyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile?
The IUPAC name of 2-amino-1',7-dimethyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile (CID 18886469) is 2-amino-1',7-dimethyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile.
What is the SMILES notation for 2-amino-1',7-dimethyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile?
The canonical SMILES for 2-amino-1',7-dimethyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile is Cc1cc2c(c(=O)[nH]1)C1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-1',7-dimethyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile?
The InChIKey is LASABEXRIJAQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-9-7-13-14(16(23)21-9)18(11(8-19)15(20)25-13)10-5-3-4-6-12(10)22(2)17(18)24/h3-7H,20H2,1-2H3,(H,21,23).
What are the key properties of 2-amino-1',7-dimethyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile?
2-amino-1',7-dimethyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile has a molecular weight of 334.34 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1',7-dimethyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile is sourced from PubChem (CID 18886469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).