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

C20H15N5O5 — CID 4890713

IUPAC2-amino-7-methyl-4-(5-nitrofuran-2-yl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1Cc1cccnc1)C(c1ccc([N+](=O)[O-])o1)C(C#N)=C(N)O2
InChIInChI=1S/C20H15N5O5/c1-11-7-15-18(20(26)24(11)10-12-3-2-6-23-9-12)17(13(8-21)19(22)30-15)14-4-5-16(29-14)25(27)28/h2-7,9,17H,10,22H2,1H3
InChIKeyWXXJWQLGYOWCTE-UHFFFAOYSA-N
MW405.37 g/mol
LogP2.32
Rot. Bonds4

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

2-amino-7-methyl-4-(5-nitrofuran-2-yl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 4890713) has the molecular formula C20H15N5O5 and a molecular weight of 405.37 g/mol. Its IUPAC name is 2-amino-7-methyl-4-(5-nitrofuran-2-yl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-methyl-4-(5-nitrofuran-2-yl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID4890713
Molecular FormulaC20H15N5O5
Molecular Weight405.37 g/mol
Exact Mass405.11
IUPAC Name2-amino-7-methyl-4-(5-nitrofuran-2-yl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1Cc1cccnc1)C(c1ccc([N+](=O)[O-])o1)C(C#N)=C(N)O2
InChIInChI=1S/C20H15N5O5/c1-11-7-15-18(20(26)24(11)10-12-3-2-6-23-9-12)17(13(8-21)19(22)30-15)14-4-5-16(29-14)25(27)28/h2-7,9,17H,10,22H2,1H3
InChIKeyWXXJWQLGYOWCTE-UHFFFAOYSA-N
XLogP2.32
TPSA150.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4S)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1424219
2-amino-7-methyl-5-oxo-4-pyridin-3-yl-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4751699
2-amino-7-methyl-4-(3-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3711077
(4S)-2-amino-7-methyl-5-oxo-4-phenyl-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1418475
(4R)-2-amino-7-methyl-4-(4-methylphenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 51566983
(4R)-2-amino-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1386642
2-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium
CID 7006805
4-[(4R)-2-amino-6-benzyl-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-4-yl]-N-hydroxybenzeneamine oxide
CID 163152384
2-amino-4-(2-chlorophenyl)-7-methyl-6-[(4-methylphenyl)methyl]-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4890496
2-amino-6-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3718869
3-[(4S)-2-amino-6-benzyl-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-4-yl]-N-hydroxybenzeneamine oxide
CID 163156234
(4R)-2-amino-4-(3-fluorophenyl)-7-methyl-6-[(4-methylphenyl)methyl]-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 2028999

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-4-(5-nitrofuran-2-yl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-7-methyl-4-(5-nitrofuran-2-yl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 4890713) is 2-amino-7-methyl-4-(5-nitrofuran-2-yl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-7-methyl-4-(5-nitrofuran-2-yl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-7-methyl-4-(5-nitrofuran-2-yl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1Cc1cccnc1)C(c1ccc([N+](=O)[O-])o1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-7-methyl-4-(5-nitrofuran-2-yl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is WXXJWQLGYOWCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O5/c1-11-7-15-18(20(26)24(11)10-12-3-2-6-23-9-12)17(13(8-21)19(22)30-15)14-4-5-16(29-14)25(27)28/h2-7,9,17H,10,22H2,1H3.
What are the key properties of 2-amino-7-methyl-4-(5-nitrofuran-2-yl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-7-methyl-4-(5-nitrofuran-2-yl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 405.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-4-(5-nitrofuran-2-yl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 4890713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).