N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine

C16H19N3O3 — CID 4546533

IUPACN-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine
SMILESCOc1cc(C(C)=NNc2ccccn2)cc(OC)c1OC
InChIInChI=1S/C16H19N3O3/c1-11(18-19-15-7-5-6-8-17-15)12-9-13(20-2)16(22-4)14(10-12)21-3/h5-10H,1-4H3,(H,17,19)
InChIKeyPIZZEQVHDCBFTR-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.94
Rot. Bonds6

About N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine

N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine (PubChem CID 4546533) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine
PubChem CID4546533
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine
SMILESCOc1cc(C(C)=NNc2ccccn2)cc(OC)c1OC
InChIInChI=1S/C16H19N3O3/c1-11(18-19-15-7-5-6-8-17-15)12-9-13(20-2)16(22-4)14(10-12)21-3/h5-10H,1-4H3,(H,17,19)
InChIKeyPIZZEQVHDCBFTR-UHFFFAOYSA-N
XLogP2.94
TPSA64.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.94
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-[1-(4-phenylphenyl)ethylideneamino]pyridin-2-amine
CID 3582287
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine
CID 6145584
N-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine
CID 6273160
N-[(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]pyridin-2-amine
CID 9121744
2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline
CID 7066795
N-[1-(3,4-dimethoxyphenyl)propylideneamino]pyridin-2-amine
CID 4831615
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]pyridin-2-amine
CID 9121645
2-nitro-N-[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline
CID 6006376
N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine
CID 4985798
2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide
CID 6217616
N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide
CID 9121690
4-[(E)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzene-1,3-diol
CID 135612559

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine?
The IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine (CID 4546533) is N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine?
The canonical SMILES for N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine is COc1cc(C(C)=NNc2ccccn2)cc(OC)c1OC.
What is the InChIKey of N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine?
The InChIKey is PIZZEQVHDCBFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11(18-19-15-7-5-6-8-17-15)12-9-13(20-2)16(22-4)14(10-12)21-3/h5-10H,1-4H3,(H,17,19).
What are the key properties of N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine?
N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine has a molecular weight of 301.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine is sourced from PubChem (CID 4546533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).