3,5-dichloro-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]pyridin-2-amine

C16H17Cl2N3O2 — CID 9463611

IUPAC3,5-dichloro-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]pyridin-2-amine
SMILESCOc1ccc(C/C(C)=N\Nc2ncc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C16H17Cl2N3O2/c1-10(20-21-16-13(18)8-12(17)9-19-16)6-11-4-5-14(22-2)15(7-11)23-3/h4-5,7-9H,6H2,1-3H3,(H,19,21)/b20-10-
InChIKeyUPROREQAIMOIEX-JMIUGGIZSA-N
MW354.24 g/mol
LogP4.44
Rot. Bonds6

About 3,5-dichloro-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]pyridin-2-amine

3,5-dichloro-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]pyridin-2-amine (PubChem CID 9463611) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 3,5-dichloro-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]pyridin-2-amine
PubChem CID9463611
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name3,5-dichloro-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]pyridin-2-amine
SMILESCOc1ccc(C/C(C)=N\Nc2ncc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C16H17Cl2N3O2/c1-10(20-21-16-13(18)8-12(17)9-19-16)6-11-4-5-14(22-2)15(7-11)23-3/h4-5,7-9H,6H2,1-3H3,(H,19,21)/b20-10-
InChIKeyUPROREQAIMOIEX-JMIUGGIZSA-N
XLogP4.44
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968846
3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6217597
[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]urea
CID 2732243
3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 9217023
2-[(E)-N-[(3,5-dichloro-2-pyridinyl)amino]-C-methylcarbonimidoyl]-4-methoxyphenol
CID 135811285
3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine
CID 7987811
2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide
CID 9316814
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 133169356
3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine
CID 4833509
1-[(2,4-dichlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157404
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 71230209
3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 29285859

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]pyridin-2-amine (CID 9463611) is 3,5-dichloro-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]pyridin-2-amine is COc1ccc(C/C(C)=N\Nc2ncc(Cl)cc2Cl)cc1OC.
What is the InChIKey of 3,5-dichloro-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]pyridin-2-amine?
The InChIKey is UPROREQAIMOIEX-JMIUGGIZSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c1-10(20-21-16-13(18)8-12(17)9-19-16)6-11-4-5-14(22-2)15(7-11)23-3/h4-5,7-9H,6H2,1-3H3,(H,19,21)/b20-10-.
What are the key properties of 3,5-dichloro-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]pyridin-2-amine?
3,5-dichloro-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]pyridin-2-amine has a molecular weight of 354.24 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]pyridin-2-amine is sourced from PubChem (CID 9463611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).