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

C16H13N3O2 — CID 834770

IUPAC(4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)[nH]1)[C@H](c1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C16H13N3O2/c1-9-7-12-14(16(20)19-9)13(10-5-3-2-4-6-10)11(8-17)15(18)21-12/h2-7,13H,18H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyRFKSFJCEGGRWFE-CYBMUJFWSA-N
MW279.30 g/mol
LogP1.90
Rot. Bonds1

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

(4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 834770) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID834770
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name(4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)[nH]1)[C@H](c1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C16H13N3O2/c1-9-7-12-14(16(20)19-9)13(10-5-3-2-4-6-10)11(8-17)15(18)21-12/h2-7,13H,18H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyRFKSFJCEGGRWFE-CYBMUJFWSA-N
XLogP1.90
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(4S)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 6560114
(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
(4R)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 7157419
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-(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
(4S)-2-amino-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 1393530
ethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 7184062
(4S)-2-amino-7-methyl-5-oxo-4-(4-phenylphenyl)-4H-pyrano[3,2-c]pyran-3-carbonitrile
CID 1068159
2-amino-4-(3-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 23475347
(4S)-2-amino-7-methyl-5-oxo-4-(3-phenoxyphenyl)-4H-pyrano[3,2-c]pyran-3-carbonitrile
CID 1099072

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (CID 834770) is (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)[nH]1)[C@H](c1ccccc1)C(C#N)=C(N)O2.
What is the InChIKey of (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is RFKSFJCEGGRWFE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-9-7-12-14(16(20)19-9)13(10-5-3-2-4-6-10)11(8-17)15(18)21-12/h2-7,13H,18H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
(4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 834770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).