2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-4-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C23H20N4O3 — CID 666656

IUPAC2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-4-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccncc4)c(=O)c32)cc1
InChIInChI=1S/C23H20N4O3/c1-14-11-19-21(23(28)27(14)13-15-7-9-26-10-8-15)20(18(12-24)22(25)30-19)16-3-5-17(29-2)6-4-16/h3-11,20H,13,25H2,1-2H3
InChIKeyCIMXOJMHQYYQBR-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.83
Rot. Bonds4

About 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-4-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile

2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-4-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 666656) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-4-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-4-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID666656
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-4-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccncc4)c(=O)c32)cc1
InChIInChI=1S/C23H20N4O3/c1-14-11-19-21(23(28)27(14)13-15-7-9-26-10-8-15)20(18(12-24)22(25)30-19)16-3-5-17(29-2)6-4-16/h3-11,20H,13,25H2,1-2H3
InChIKeyCIMXOJMHQYYQBR-UHFFFAOYSA-N
XLogP2.83
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-4-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-4-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 666656) is 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-4-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-4-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-4-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is COc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccncc4)c(=O)c32)cc1.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-4-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is CIMXOJMHQYYQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-14-11-19-21(23(28)27(14)13-15-7-9-26-10-8-15)20(18(12-24)22(25)30-19)16-3-5-17(29-2)6-4-16/h3-11,20H,13,25H2,1-2H3.
What are the key properties of 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-4-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-4-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 400.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-4-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 666656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).