2,4-diamino-5-(1-hydroxynaphthalen-2-yl)-7-nitro-5H-chromeno[2,3-b]pyridine-3-carbonitrile

C23H15N5O4 — CID 102197601

IUPAC2,4-diamino-5-(1-hydroxynaphthalen-2-yl)-7-nitro-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1N)C(c1ccc3ccccc3c1O)c1cc([N+](=O)[O-])ccc1O2
InChIInChI=1S/C23H15N5O4/c24-10-16-20(25)19-18(14-7-5-11-3-1-2-4-13(11)21(14)29)15-9-12(28(30)31)6-8-17(15)32-23(19)27-22(16)26/h1-9,18,29H,(H4,25,26,27)
InChIKeyGFCLHTUAFVNVRZ-UHFFFAOYSA-N
MW425.40 g/mol
LogP4.17
Rot. Bonds2

About 2,4-diamino-5-(1-hydroxynaphthalen-2-yl)-7-nitro-5H-chromeno[2,3-b]pyridine-3-carbonitrile

2,4-diamino-5-(1-hydroxynaphthalen-2-yl)-7-nitro-5H-chromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 102197601) has the molecular formula C23H15N5O4 and a molecular weight of 425.40 g/mol. Its IUPAC name is 2,4-diamino-5-(1-hydroxynaphthalen-2-yl)-7-nitro-5H-chromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-5-(1-hydroxynaphthalen-2-yl)-7-nitro-5H-chromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID102197601
Molecular FormulaC23H15N5O4
Molecular Weight425.40 g/mol
Exact Mass425.11
IUPAC Name2,4-diamino-5-(1-hydroxynaphthalen-2-yl)-7-nitro-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1N)C(c1ccc3ccccc3c1O)c1cc([N+](=O)[O-])ccc1O2
InChIInChI=1S/C23H15N5O4/c24-10-16-20(25)19-18(14-7-5-11-3-1-2-4-13(11)21(14)29)15-9-12(28(30)31)6-8-17(15)32-23(19)27-22(16)26/h1-9,18,29H,(H4,25,26,27)
InChIKeyGFCLHTUAFVNVRZ-UHFFFAOYSA-N
XLogP4.17
TPSA161.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 54.17
H-Bond Donors ≤ 53
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 2,4-diamino-5-(1-hydroxynaphthalen-2-yl)-7-nitro-5H-chromeno[2,3-b]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

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-(1-hydroxynaphthalen-2-yl)-7-nitro-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2,4-diamino-5-(1-hydroxynaphthalen-2-yl)-7-nitro-5H-chromeno[2,3-b]pyridine-3-carbonitrile (CID 102197601) is 2,4-diamino-5-(1-hydroxynaphthalen-2-yl)-7-nitro-5H-chromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-diamino-5-(1-hydroxynaphthalen-2-yl)-7-nitro-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2,4-diamino-5-(1-hydroxynaphthalen-2-yl)-7-nitro-5H-chromeno[2,3-b]pyridine-3-carbonitrile is N#Cc1c(N)nc2c(c1N)C(c1ccc3ccccc3c1O)c1cc([N+](=O)[O-])ccc1O2.
What is the InChIKey of 2,4-diamino-5-(1-hydroxynaphthalen-2-yl)-7-nitro-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is GFCLHTUAFVNVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5O4/c24-10-16-20(25)19-18(14-7-5-11-3-1-2-4-13(11)21(14)29)15-9-12(28(30)31)6-8-17(15)32-23(19)27-22(16)26/h1-9,18,29H,(H4,25,26,27).
What are the key properties of 2,4-diamino-5-(1-hydroxynaphthalen-2-yl)-7-nitro-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
2,4-diamino-5-(1-hydroxynaphthalen-2-yl)-7-nitro-5H-chromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 425.40 g/mol, XLogP of 4.17, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-(1-hydroxynaphthalen-2-yl)-7-nitro-5H-chromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 102197601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).