2-(furan-2-ylmethylamino)-3-nitrochromeno[2,3-b]pyridin-5-one

C17H11N3O5 — CID 164670550

IUPAC2-(furan-2-ylmethylamino)-3-nitrochromeno[2,3-b]pyridin-5-one
SMILESO=c1c2ccccc2oc2nc(NCc3ccco3)c([N+](=O)[O-])cc12
InChIInChI=1S/C17H11N3O5/c21-15-11-5-1-2-6-14(11)25-17-12(15)8-13(20(22)23)16(19-17)18-9-10-4-3-7-24-10/h1-8H,9H2,(H,18,19)
InChIKeyWPOJAYZHOBTTSB-UHFFFAOYSA-N
MW337.29 g/mol
LogP3.45
Rot. Bonds4

About 2-(furan-2-ylmethylamino)-3-nitrochromeno[2,3-b]pyridin-5-one

2-(furan-2-ylmethylamino)-3-nitrochromeno[2,3-b]pyridin-5-one (PubChem CID 164670550) has the molecular formula C17H11N3O5 and a molecular weight of 337.29 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-3-nitrochromeno[2,3-b]pyridin-5-one.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-3-nitrochromeno[2,3-b]pyridin-5-one
PubChem CID164670550
Molecular FormulaC17H11N3O5
Molecular Weight337.29 g/mol
Exact Mass337.07
IUPAC Name2-(furan-2-ylmethylamino)-3-nitrochromeno[2,3-b]pyridin-5-one
SMILESO=c1c2ccccc2oc2nc(NCc3ccco3)c([N+](=O)[O-])cc12
InChIInChI=1S/C17H11N3O5/c21-15-11-5-1-2-6-14(11)25-17-12(15)8-13(20(22)23)16(19-17)18-9-10-4-3-7-24-10/h1-8H,9H2,(H,18,19)
InChIKeyWPOJAYZHOBTTSB-UHFFFAOYSA-N
XLogP3.45
TPSA111.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-(furan-2-ylmethylamino)-3-nitrochromeno[2,3-b]pyridin-5-one 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

3-nitro-2-(propylamino)chromeno[2,3-b]pyridin-5-one
CID 164670558
2-(benzylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one
CID 164670563
2-(ethylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one
CID 164670561
2-(butylamino)-3-nitro-7-propan-2-ylchromeno[2,3-b]pyridin-5-one
CID 164670559
N-(furan-2-ylmethyl)-2-(4-nitrophenyl)quinazolin-4-amine
CID 696673
4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline
CID 43218082
4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine
CID 24903357
6-chloro-N-(furan-2-ylmethyl)-5-nitro-2-propan-2-ylpyrimidin-4-amine
CID 82458984
N-(furan-2-ylmethyl)-5-nitroisoquinolin-8-amine
CID 103141136
6-N-(furan-2-ylmethyl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22528636
N-(furan-2-ylmethyl)-2-nitro-1-benzothiophen-3-amine
CID 3146479
N-(furan-2-ylmethyl)-4-nitro-3-propoxyaniline
CID 63671918

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-3-nitrochromeno[2,3-b]pyridin-5-one?
The IUPAC name of 2-(furan-2-ylmethylamino)-3-nitrochromeno[2,3-b]pyridin-5-one (CID 164670550) is 2-(furan-2-ylmethylamino)-3-nitrochromeno[2,3-b]pyridin-5-one.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-3-nitrochromeno[2,3-b]pyridin-5-one?
The canonical SMILES for 2-(furan-2-ylmethylamino)-3-nitrochromeno[2,3-b]pyridin-5-one is O=c1c2ccccc2oc2nc(NCc3ccco3)c([N+](=O)[O-])cc12.
What is the InChIKey of 2-(furan-2-ylmethylamino)-3-nitrochromeno[2,3-b]pyridin-5-one?
The InChIKey is WPOJAYZHOBTTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O5/c21-15-11-5-1-2-6-14(11)25-17-12(15)8-13(20(22)23)16(19-17)18-9-10-4-3-7-24-10/h1-8H,9H2,(H,18,19).
What are the key properties of 2-(furan-2-ylmethylamino)-3-nitrochromeno[2,3-b]pyridin-5-one?
2-(furan-2-ylmethylamino)-3-nitrochromeno[2,3-b]pyridin-5-one has a molecular weight of 337.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-3-nitrochromeno[2,3-b]pyridin-5-one is sourced from PubChem (CID 164670550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).