N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine

C17H14N4O3 — CID 126101162

IUPACN-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine
SMILESCOc1ccc(/C=N\Nc2ncccc2[N+](=O)[O-])c2ccccc12
InChIInChI=1S/C17H14N4O3/c1-24-16-9-8-12(13-5-2-3-6-14(13)16)11-19-20-17-15(21(22)23)7-4-10-18-17/h2-11H,1H3,(H,18,20)/b19-11-
InChIKeyGHAVAIBHDFDFEF-ODLFYWEKSA-N
MW322.32 g/mol
LogP3.60
Rot. Bonds5

About N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine

N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine (PubChem CID 126101162) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine
PubChem CID126101162
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC NameN-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine
SMILESCOc1ccc(/C=N\Nc2ncccc2[N+](=O)[O-])c2ccccc12
InChIInChI=1S/C17H14N4O3/c1-24-16-9-8-12(13-5-2-3-6-14(13)16)11-19-20-17-15(21(22)23)7-4-10-18-17/h2-11H,1H3,(H,18,20)/b19-11-
InChIKeyGHAVAIBHDFDFEF-ODLFYWEKSA-N
XLogP3.60
TPSA89.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

2-methoxy-6-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135458786
N-[(Z)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126074341
2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3091226
N-[(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126125993
N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126114153
2-bromo-6-methoxy-4-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135642188
N-[(Z)-(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126108928
(2S)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(2-nitrophenoxy)propanamide
CID 5434404
N-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126095785
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126073616
N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6146230
2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 137076452

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine?
The IUPAC name of N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine (CID 126101162) is N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine?
The canonical SMILES for N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine is COc1ccc(/C=N\Nc2ncccc2[N+](=O)[O-])c2ccccc12.
What is the InChIKey of N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine?
The InChIKey is GHAVAIBHDFDFEF-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-24-16-9-8-12(13-5-2-3-6-14(13)16)11-19-20-17-15(21(22)23)7-4-10-18-17/h2-11H,1H3,(H,18,20)/b19-11-.
What are the key properties of N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine?
N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine has a molecular weight of 322.32 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine is sourced from PubChem (CID 126101162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).