N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine

C20H18N4O4 — CID 126114153

IUPACN-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine
SMILESCOc1ccc(/C=N\Nc2ncccc2[N+](=O)[O-])cc1OCc1ccccc1
InChIInChI=1S/C20H18N4O4/c1-27-18-10-9-16(12-19(18)28-14-15-6-3-2-4-7-15)13-22-23-20-17(24(25)26)8-5-11-21-20/h2-13H,14H2,1H3,(H,21,23)/b22-13-
InChIKeyRCCMEEXCGJOADH-XKZIYDEJSA-N
MW378.39 g/mol
LogP4.02
Rot. Bonds8

About N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine

N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine (PubChem CID 126114153) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine
PubChem CID126114153
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine
SMILESCOc1ccc(/C=N\Nc2ncccc2[N+](=O)[O-])cc1OCc1ccccc1
InChIInChI=1S/C20H18N4O4/c1-27-18-10-9-16(12-19(18)28-14-15-6-3-2-4-7-15)13-22-23-20-17(24(25)26)8-5-11-21-20/h2-13H,14H2,1H3,(H,21,23)/b22-13-
InChIKeyRCCMEEXCGJOADH-XKZIYDEJSA-N
XLogP4.02
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.02
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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Related Compounds

3-nitro-N-[(Z)-(3-nitro-4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 126109598
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)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126075203
N-[(Z)-[3-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126107948
5-[[2-methoxy-4-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 4536283
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-nitroaniline
CID 6186932
N-[(Z)-[3-bromo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126100338
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5008756
N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126102036
4-[[2-iodo-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126106396
4-[[2-bromo-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 6160264

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine?
The IUPAC name of N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine (CID 126114153) is N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine?
The canonical SMILES for N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine is COc1ccc(/C=N\Nc2ncccc2[N+](=O)[O-])cc1OCc1ccccc1.
What is the InChIKey of N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine?
The InChIKey is RCCMEEXCGJOADH-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-27-18-10-9-16(12-19(18)28-14-15-6-3-2-4-7-15)13-22-23-20-17(24(25)26)8-5-11-21-20/h2-13H,14H2,1H3,(H,21,23)/b22-13-.
What are the key properties of N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine?
N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine has a molecular weight of 378.39 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine is sourced from PubChem (CID 126114153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).