N-[1-(3,4-dimethoxyphenyl)propylideneamino]pyridin-2-amine

C16H19N3O2 — CID 4831615

IUPACN-[1-(3,4-dimethoxyphenyl)propylideneamino]pyridin-2-amine
SMILESCCC(=NNc1ccccn1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H19N3O2/c1-4-13(18-19-16-7-5-6-10-17-16)12-8-9-14(20-2)15(11-12)21-3/h5-11H,4H2,1-3H3,(H,17,19)
InChIKeyOROWSMWBLSQBQP-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.33
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)propylideneamino]pyridin-2-amine

N-[1-(3,4-dimethoxyphenyl)propylideneamino]pyridin-2-amine (PubChem CID 4831615) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propylideneamino]pyridin-2-amine
PubChem CID4831615
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propylideneamino]pyridin-2-amine
SMILESCCC(=NNc1ccccn1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H19N3O2/c1-4-13(18-19-16-7-5-6-10-17-16)12-8-9-14(20-2)15(11-12)21-3/h5-11H,4H2,1-3H3,(H,17,19)
InChIKeyOROWSMWBLSQBQP-UHFFFAOYSA-N
XLogP3.33
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.33
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-[(Z)-1-(3-bromophenyl)propylideneamino]pyridin-2-amine
CID 9121657
[1-(3,4-dimethoxyphenyl)propylideneamino]thiourea
CID 915555
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063
N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine
CID 4546533
1-[1-(3,4-dimethoxyphenyl)propylideneamino]-3-propan-2-ylthiourea
CID 5024066
3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
CID 3101285
N-[(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]pyridin-2-amine
CID 9121744
1-butyl-3-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]thiourea
CID 18226943
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 6525597
N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide
CID 4168885
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]pyridin-2-amine
CID 9121645
4-methoxy-3-methyl-N-pyridin-2-ylbenzamide
CID 110761052

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propylideneamino]pyridin-2-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propylideneamino]pyridin-2-amine (CID 4831615) is N-[1-(3,4-dimethoxyphenyl)propylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propylideneamino]pyridin-2-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propylideneamino]pyridin-2-amine is CCC(=NNc1ccccn1)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propylideneamino]pyridin-2-amine?
The InChIKey is OROWSMWBLSQBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-13(18-19-16-7-5-6-10-17-16)12-8-9-14(20-2)15(11-12)21-3/h5-11H,4H2,1-3H3,(H,17,19).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propylideneamino]pyridin-2-amine?
N-[1-(3,4-dimethoxyphenyl)propylideneamino]pyridin-2-amine has a molecular weight of 285.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propylideneamino]pyridin-2-amine is sourced from PubChem (CID 4831615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).