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

C14H13Cl2N3O2 — CID 6217597

IUPAC3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCOc1ccc(/C=N\Nc2ncc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C14H13Cl2N3O2/c1-20-12-4-3-9(5-13(12)21-2)7-18-19-14-11(16)6-10(15)8-17-14/h3-8H,1-2H3,(H,17,19)/b18-7-
InChIKeyNENWCTDCIIOUHB-WSVATBPTSA-N
MW326.18 g/mol
LogP3.85
Rot. Bonds5

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

3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine (PubChem CID 6217597) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine
PubChem CID6217597
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCOc1ccc(/C=N\Nc2ncc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C14H13Cl2N3O2/c1-20-12-4-3-9(5-13(12)21-2)7-18-19-14-11(16)6-10(15)8-17-14/h3-8H,1-2H3,(H,17,19)/b18-7-
InChIKeyNENWCTDCIIOUHB-WSVATBPTSA-N
XLogP3.85
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.85
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

3-chloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6165867
2-[4-[(Z)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 9216919
4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135608192
2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline
CID 5097716
[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 4999008
2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile
CID 9232173
3,5-dichloro-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]pyridin-2-amine
CID 9463611
4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110506064
2-methoxy-4-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853833
2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6036717
methyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate
CID 8980058
3,4-dichloro-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840463

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine (CID 6217597) is 3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine is COc1ccc(/C=N\Nc2ncc(Cl)cc2Cl)cc1OC.
What is the InChIKey of 3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine?
The InChIKey is NENWCTDCIIOUHB-WSVATBPTSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-20-12-4-3-9(5-13(12)21-2)7-18-19-14-11(16)6-10(15)8-17-14/h3-8H,1-2H3,(H,17,19)/b18-7-.
What are the key properties of 3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine?
3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine has a molecular weight of 326.18 g/mol, XLogP of 3.85, 5 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)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 6217597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).