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

C22H17N5O4 — CID 1424219

IUPAC(4S)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1Cc1cccnc1)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2
InChIInChI=1S/C22H17N5O4/c1-13-9-18-20(22(28)26(13)12-14-3-2-8-25-11-14)19(17(10-23)21(24)31-18)15-4-6-16(7-5-15)27(29)30/h2-9,11,19H,12,24H2,1H3/t19-/m0/s1
InChIKeyVSUGTZWOQWVKOQ-IBGZPJMESA-N
MW415.41 g/mol
LogP2.73
Rot. Bonds4

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

(4S)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 1424219) has the molecular formula C22H17N5O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is (4S)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(4S)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID1424219
Molecular FormulaC22H17N5O4
Molecular Weight415.41 g/mol
Exact Mass415.13
IUPAC Name(4S)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1Cc1cccnc1)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2
InChIInChI=1S/C22H17N5O4/c1-13-9-18-20(22(28)26(13)12-14-3-2-8-25-11-14)19(17(10-23)21(24)31-18)15-4-6-16(7-5-15)27(29)30/h2-9,11,19H,12,24H2,1H3/t19-/m0/s1
InChIKeyVSUGTZWOQWVKOQ-IBGZPJMESA-N
XLogP2.73
TPSA137.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (4S)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-7-methyl-4-(3-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3711077
(4R)-2-amino-7-methyl-4-(4-methylphenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 51566983
2-amino-7-methyl-5-oxo-4-pyridin-3-yl-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4751699
(4S)-2-amino-7-methyl-5-oxo-4-phenyl-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1418475
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
(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
methyl 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 3773252
2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475544
2-amino-4-(4-ethoxyphenyl)-7-methyl-5-oxo-6-(pyridin-1-ium-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4751693
(4R)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 7157419

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of (4S)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 1424219) is (4S)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for (4S)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for (4S)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1Cc1cccnc1)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2.
What is the InChIKey of (4S)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is VSUGTZWOQWVKOQ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H17N5O4/c1-13-9-18-20(22(28)26(13)12-14-3-2-8-25-11-14)19(17(10-23)21(24)31-18)15-4-6-16(7-5-15)27(29)30/h2-9,11,19H,12,24H2,1H3/t19-/m0/s1.
What are the key properties of (4S)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
(4S)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 415.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 1424219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).