4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate

C14H13N4O5- — CID 9024841

IUPAC4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate
SMILESCOc1cc(/C=N\n2c(N)cc(C)cc2=O)cc([N+](=O)[O-])c1[O-]
InChIInChI=1S/C14H14N4O5/c1-8-3-12(15)17(13(19)4-8)16-7-9-5-10(18(21)22)14(20)11(6-9)23-2/h3-7,20H,15H2,1-2H3/p-1/b16-7-
InChIKeyBNXFVTDQVZMTJR-APSNUPSMSA-M
MW317.28 g/mol
LogP0.61
Rot. Bonds4

About 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate

4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate (PubChem CID 9024841) has the molecular formula C14H13N4O5- and a molecular weight of 317.28 g/mol. Its IUPAC name is 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate.

Molecular Properties

Compound Name4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate
PubChem CID9024841
Molecular FormulaC14H13N4O5-
Molecular Weight317.28 g/mol
Exact Mass317.09
IUPAC Name4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate
SMILESCOc1cc(/C=N\n2c(N)cc(C)cc2=O)cc([N+](=O)[O-])c1[O-]
InChIInChI=1S/C14H14N4O5/c1-8-3-12(15)17(13(19)4-8)16-7-9-5-10(18(21)22)14(20)11(6-9)23-2/h3-7,20H,15H2,1-2H3/p-1/b16-7-
InChIKeyBNXFVTDQVZMTJR-APSNUPSMSA-M
XLogP0.61
TPSA135.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate 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

6-amino-1-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 135771045
6-amino-4-methyl-1-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024377
6-amino-1-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024571
6-amino-1-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024562
6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024279
6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
CID 23376478
2-methoxy-6-nitro-4-[(Z)-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate
CID 7728749
4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxy-6-nitrophenolate
CID 7115478
6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024403
6-amino-1-[(Z)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024559
4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]-2-methoxy-6-nitrophenolate
CID 6894052
4,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 909654

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate?
The IUPAC name of 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate (CID 9024841) is 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate.
What is the SMILES notation for 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate?
The canonical SMILES for 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate is COc1cc(/C=N\n2c(N)cc(C)cc2=O)cc([N+](=O)[O-])c1[O-].
What is the InChIKey of 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate?
The InChIKey is BNXFVTDQVZMTJR-APSNUPSMSA-M. The full InChI is InChI=1S/C14H14N4O5/c1-8-3-12(15)17(13(19)4-8)16-7-9-5-10(18(21)22)14(20)11(6-9)23-2/h3-7,20H,15H2,1-2H3/p-1/b16-7-.
What are the key properties of 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate?
4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate has a molecular weight of 317.28 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate is sourced from PubChem (CID 9024841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).