(4R)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile

C16H12N4O4 — CID 7157419

IUPAC(4R)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)[nH]1)[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2
InChIInChI=1S/C16H12N4O4/c1-8-6-12-14(16(21)19-8)13(11(7-17)15(18)24-12)9-2-4-10(5-3-9)20(22)23/h2-6,13H,18H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyVGRRUAJSKUAPLO-CYBMUJFWSA-N
MW324.30 g/mol
LogP1.81
Rot. Bonds2

About (4R)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile

(4R)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 7157419) has the molecular formula C16H12N4O4 and a molecular weight of 324.30 g/mol. Its IUPAC name is (4R)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID7157419
Molecular FormulaC16H12N4O4
Molecular Weight324.30 g/mol
Exact Mass324.09
IUPAC Name(4R)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)[nH]1)[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2
InChIInChI=1S/C16H12N4O4/c1-8-6-12-14(16(21)19-8)13(11(7-17)15(18)24-12)9-2-4-10(5-3-9)20(22)23/h2-6,13H,18H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyVGRRUAJSKUAPLO-CYBMUJFWSA-N
XLogP1.81
TPSA135.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4R)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile with MolForge

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Related Compounds

(4S)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 6560114
(4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 834770
(4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 950544
(4R)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 950545
(4S)-2-amino-7-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 1387648
(4S)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 1392128
2-amino-6-methyl-4-(4-nitrophenyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475586
2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 4645991
(4S)-2-amino-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 1393530
(4S)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1424219
4-amino-6-(4-nitrophenyl)-8-oxo-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),4,11,13,15,17-heptaene-5-carbonitrile
CID 155519319
(4S)-6-amino-4-(4-nitrophenyl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 672885

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of (4R)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (CID 7157419) is (4R)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2.
What is the InChIKey of (4R)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is VGRRUAJSKUAPLO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H12N4O4/c1-8-6-12-14(16(21)19-8)13(11(7-17)15(18)24-12)9-2-4-10(5-3-9)20(22)23/h2-6,13H,18H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (4R)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
(4R)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 324.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 7157419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).