N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine

C20H17Cl2N3O2 — CID 110842528

IUPACN-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
SMILESCOc1cccc(C=NNc2ccccn2)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H17Cl2N3O2/c1-26-18-6-4-5-15(12-24-25-19-7-2-3-10-23-19)20(18)27-13-14-8-9-16(21)17(22)11-14/h2-12H,13H2,1H3,(H,23,25)
InChIKeyPWOYWAQQWCYQEB-UHFFFAOYSA-N
MW402.28 g/mol
LogP5.42
Rot. Bonds7

About N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine

N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine (PubChem CID 110842528) has the molecular formula C20H17Cl2N3O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
PubChem CID110842528
Molecular FormulaC20H17Cl2N3O2
Molecular Weight402.28 g/mol
Exact Mass401.07
IUPAC NameN-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
SMILESCOc1cccc(C=NNc2ccccn2)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H17Cl2N3O2/c1-26-18-6-4-5-15(12-24-25-19-7-2-3-10-23-19)20(18)27-13-14-8-9-16(21)17(22)11-14/h2-12H,13H2,1H3,(H,23,25)
InChIKeyPWOYWAQQWCYQEB-UHFFFAOYSA-N
XLogP5.42
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.28
LogP ≤ 55.42
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

N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 110842527
3,4-dichloro-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840474
(NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42299994
[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
CID 168534891
N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-nitroaniline
CID 110842221
3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840470
2-amino-N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110340321
N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340211
N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6146230
N-[(Z)-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126040006
5-[(2E)-2-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110510008
1-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629432

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine?
The IUPAC name of N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine (CID 110842528) is N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine is COc1cccc(C=NNc2ccccn2)c1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine?
The InChIKey is PWOYWAQQWCYQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2/c1-26-18-6-4-5-15(12-24-25-19-7-2-3-10-23-19)20(18)27-13-14-8-9-16(21)17(22)11-14/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine?
N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine has a molecular weight of 402.28 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine is sourced from PubChem (CID 110842528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).