2-amino-7-methoxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile

C16H13N3O2 — CID 3633856

IUPAC2-amino-7-methoxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile
SMILESCOc1ccc2c(c1)OC(N)=C(C#N)C2c1cccnc1
InChIInChI=1S/C16H13N3O2/c1-20-11-4-5-12-14(7-11)21-16(18)13(8-17)15(12)10-3-2-6-19-9-10/h2-7,9,15H,18H2,1H3
InChIKeyGHNXTHKOSGJBSR-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.31
Rot. Bonds2

About 2-amino-7-methoxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile

2-amino-7-methoxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile (PubChem CID 3633856) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-amino-7-methoxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-methoxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile
PubChem CID3633856
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-amino-7-methoxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile
SMILESCOc1ccc2c(c1)OC(N)=C(C#N)C2c1cccnc1
InChIInChI=1S/C16H13N3O2/c1-20-11-4-5-12-14(7-11)21-16(18)13(8-17)15(12)10-3-2-6-19-9-10/h2-7,9,15H,18H2,1H3
InChIKeyGHNXTHKOSGJBSR-UHFFFAOYSA-N
XLogP2.31
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methoxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-methoxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile (CID 3633856) is 2-amino-7-methoxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-methoxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-methoxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile is COc1ccc2c(c1)OC(N)=C(C#N)C2c1cccnc1.
What is the InChIKey of 2-amino-7-methoxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile?
The InChIKey is GHNXTHKOSGJBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-20-11-4-5-12-14(7-11)21-16(18)13(8-17)15(12)10-3-2-6-19-9-10/h2-7,9,15H,18H2,1H3.
What are the key properties of 2-amino-7-methoxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile?
2-amino-7-methoxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methoxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile is sourced from PubChem (CID 3633856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).