N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide

C16H11N3O3 — CID 177472748

IUPACN-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1coc2ccccc2c1=O)c1ccccn1
InChIInChI=1S/C16H11N3O3/c20-15-11(10-22-14-7-2-1-5-12(14)15)9-18-19-16(21)13-6-3-4-8-17-13/h1-10H,(H,19,21)/b18-9+
InChIKeyMJOFEFBRHYHMPS-GIJQJNRQSA-N
MW293.28 g/mol
LogP1.95
Rot. Bonds3

About N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide

N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide (PubChem CID 177472748) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide
PubChem CID177472748
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC NameN-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1coc2ccccc2c1=O)c1ccccn1
InChIInChI=1S/C16H11N3O3/c20-15-11(10-22-14-7-2-1-5-12(14)15)9-18-19-16(21)13-6-3-4-8-17-13/h1-10H,(H,19,21)/b18-9+
InChIKeyMJOFEFBRHYHMPS-GIJQJNRQSA-N
XLogP1.95
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-oxochromen-3-yl)methylideneamino]isoquinoline-1-carboxamide
CID 175293319
[(Z)-(4-oxochromen-3-yl)methylideneamino]urea
CID 5395362
2-bromo-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 999899
5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide
CID 3269329
3-nitro-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 1085155
2-[(4-chlorophenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 91944962
N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide
CID 760228
N-[(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847584
N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide
CID 26871479
4-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide
CID 172931261
4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 91944841
N-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide
CID 177413509

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide (CID 177472748) is N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide is O=C(N/N=C/c1coc2ccccc2c1=O)c1ccccn1.
What is the InChIKey of N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is MJOFEFBRHYHMPS-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-15-11(10-22-14-7-2-1-5-12(14)15)9-18-19-16(21)13-6-3-4-8-17-13/h1-10H,(H,19,21)/b18-9+.
What are the key properties of N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide?
N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 293.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 177472748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).