3-nitro-2-(propylamino)chromeno[2,3-b]pyridin-5-one

C15H13N3O4 — CID 164670558

IUPAC3-nitro-2-(propylamino)chromeno[2,3-b]pyridin-5-one
SMILESCCCNc1nc2oc3ccccc3c(=O)c2cc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O4/c1-2-7-16-14-11(18(20)21)8-10-13(19)9-5-3-4-6-12(9)22-15(10)17-14/h3-6,8H,2,7H2,1H3,(H,16,17)
InChIKeyPFFJIXUPSHXGCP-UHFFFAOYSA-N
MW299.29 g/mol
LogP3.07
Rot. Bonds4

About 3-nitro-2-(propylamino)chromeno[2,3-b]pyridin-5-one

3-nitro-2-(propylamino)chromeno[2,3-b]pyridin-5-one (PubChem CID 164670558) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 3-nitro-2-(propylamino)chromeno[2,3-b]pyridin-5-one.

Molecular Properties

Compound Name3-nitro-2-(propylamino)chromeno[2,3-b]pyridin-5-one
PubChem CID164670558
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name3-nitro-2-(propylamino)chromeno[2,3-b]pyridin-5-one
SMILESCCCNc1nc2oc3ccccc3c(=O)c2cc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O4/c1-2-7-16-14-11(18(20)21)8-10-13(19)9-5-3-4-6-12(9)22-15(10)17-14/h3-6,8H,2,7H2,1H3,(H,16,17)
InChIKeyPFFJIXUPSHXGCP-UHFFFAOYSA-N
XLogP3.07
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-(propylamino)chromeno[2,3-b]pyridin-5-one?
The IUPAC name of 3-nitro-2-(propylamino)chromeno[2,3-b]pyridin-5-one (CID 164670558) is 3-nitro-2-(propylamino)chromeno[2,3-b]pyridin-5-one.
What is the SMILES notation for 3-nitro-2-(propylamino)chromeno[2,3-b]pyridin-5-one?
The canonical SMILES for 3-nitro-2-(propylamino)chromeno[2,3-b]pyridin-5-one is CCCNc1nc2oc3ccccc3c(=O)c2cc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-2-(propylamino)chromeno[2,3-b]pyridin-5-one?
The InChIKey is PFFJIXUPSHXGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-2-7-16-14-11(18(20)21)8-10-13(19)9-5-3-4-6-12(9)22-15(10)17-14/h3-6,8H,2,7H2,1H3,(H,16,17).
What are the key properties of 3-nitro-2-(propylamino)chromeno[2,3-b]pyridin-5-one?
3-nitro-2-(propylamino)chromeno[2,3-b]pyridin-5-one has a molecular weight of 299.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-(propylamino)chromeno[2,3-b]pyridin-5-one is sourced from PubChem (CID 164670558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).