N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine

C14H14N4O4 — CID 6058184

IUPACN-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
SMILESCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OC
InChIInChI=1S/C14H14N4O4/c1-21-12-5-3-10(7-13(12)22-2)8-16-17-14-6-4-11(9-15-14)18(19)20/h3-9H,1-2H3,(H,15,17)/b16-8-
InChIKeyMRQJAFVCQWRYMV-PXNMLYILSA-N
MW302.29 g/mol
LogP2.45
Rot. Bonds6

About N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine

N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine (PubChem CID 6058184) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
PubChem CID6058184
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC NameN-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
SMILESCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OC
InChIInChI=1S/C14H14N4O4/c1-21-12-5-3-10(7-13(12)22-2)8-16-17-14-6-4-11(9-15-14)18(19)20/h3-9H,1-2H3,(H,15,17)/b16-8-
InChIKeyMRQJAFVCQWRYMV-PXNMLYILSA-N
XLogP2.45
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine?
The IUPAC name of N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine (CID 6058184) is N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine?
The canonical SMILES for N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine is COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OC.
What is the InChIKey of N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine?
The InChIKey is MRQJAFVCQWRYMV-PXNMLYILSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-21-12-5-3-10(7-13(12)22-2)8-16-17-14-6-4-11(9-15-14)18(19)20/h3-9H,1-2H3,(H,15,17)/b16-8-.
What are the key properties of N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine?
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine has a molecular weight of 302.29 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine is sourced from PubChem (CID 6058184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).