N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine

C15H10Cl2N4O3 — CID 126071392

IUPACN-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine
SMILESC#CCOc1c(Cl)cc(/C=N\Nc2ncccc2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H10Cl2N4O3/c1-2-6-24-14-11(16)7-10(8-12(14)17)9-19-20-15-13(21(22)23)4-3-5-18-15/h1,3-5,7-9H,6H2,(H,18,20)/b19-9-
InChIKeyKEKAZBDMWUTIMS-OCKHKDLRSA-N
MW365.18 g/mol
LogP3.75
Rot. Bonds6

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

N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine (PubChem CID 126071392) has the molecular formula C15H10Cl2N4O3 and a molecular weight of 365.18 g/mol. Its IUPAC name is N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine
PubChem CID126071392
Molecular FormulaC15H10Cl2N4O3
Molecular Weight365.18 g/mol
Exact Mass364.01
IUPAC NameN-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine
SMILESC#CCOc1c(Cl)cc(/C=N\Nc2ncccc2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H10Cl2N4O3/c1-2-6-24-14-11(16)7-10(8-12(14)17)9-19-20-15-13(21(22)23)4-3-5-18-15/h1,3-5,7-9H,6H2,(H,18,20)/b19-9-
InChIKeyKEKAZBDMWUTIMS-OCKHKDLRSA-N
XLogP3.75
TPSA89.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 53.75
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine 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

N-[(Z)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126101173
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126103139
N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126106016
N-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2,4-dinitroaniline
CID 4198764
methyl 2-[2,6-diiodo-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126108025
N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126102036
2-[[2,6-diiodo-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 126101561
N-[(Z)-furan-3-ylmethylideneamino]-3-nitropyridin-2-amine
CID 126100579
3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine
CID 126111430
N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126080640
3-nitro-N-[(Z)-(3-nitro-4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 126109598
3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine
CID 2740940

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine?
The IUPAC name of N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine (CID 126071392) is N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine?
The canonical SMILES for N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine is C#CCOc1c(Cl)cc(/C=N\Nc2ncccc2[N+](=O)[O-])cc1Cl.
What is the InChIKey of N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine?
The InChIKey is KEKAZBDMWUTIMS-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H10Cl2N4O3/c1-2-6-24-14-11(16)7-10(8-12(14)17)9-19-20-15-13(21(22)23)4-3-5-18-15/h1,3-5,7-9H,6H2,(H,18,20)/b19-9-.
What are the key properties of N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine?
N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine has a molecular weight of 365.18 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine is sourced from PubChem (CID 126071392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).