5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine

C16H16F3N3O3 — CID 18229276

IUPAC5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(OC)c1OC
InChIInChI=1S/C16H16F3N3O3/c1-23-12-6-10(7-13(24-2)15(12)25-3)8-21-22-14-5-4-11(9-20-14)16(17,18)19/h4-9H,1-3H3,(H,20,22)/b21-8+
InChIKeyJMHAMKGOIZHLCU-ODCIPOBUSA-N
MW355.32 g/mol
LogP3.57
Rot. Bonds6

About 5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine

5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine (PubChem CID 18229276) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is 5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine
PubChem CID18229276
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Name5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(OC)c1OC
InChIInChI=1S/C16H16F3N3O3/c1-23-12-6-10(7-13(24-2)15(12)25-3)8-21-22-14-5-4-11(9-20-14)16(17,18)19/h4-9H,1-3H3,(H,20,22)/b21-8+
InChIKeyJMHAMKGOIZHLCU-ODCIPOBUSA-N
XLogP3.57
TPSA64.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(Z)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126107390
N-[(Z)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126103627
N-[(Z)-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126094682
2-[2-bromo-6-methoxy-4-[[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N,N-dimethylacetamide
CID 4856004
2-[[2-chloro-6-methoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 126108215
N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126080463
N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 3937895
N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 73428568
2-[2-methoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126109798
N-[(Z)-(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126112091
N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 42996125
N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6162877

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine?
The IUPAC name of 5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine (CID 18229276) is 5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for 5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine?
The canonical SMILES for 5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine is COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(OC)c1OC.
What is the InChIKey of 5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine?
The InChIKey is JMHAMKGOIZHLCU-ODCIPOBUSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-23-12-6-10(7-13(24-2)15(12)25-3)8-21-22-14-5-4-11(9-20-14)16(17,18)19/h4-9H,1-3H3,(H,20,22)/b21-8+.
What are the key properties of 5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine?
5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine has a molecular weight of 355.32 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 18229276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).