N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine

C15H17N3O3 — CID 4235681

IUPACN-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCOc1cc(OC)c(C=NNc2ccccn2)c(OC)c1
InChIInChI=1S/C15H17N3O3/c1-19-11-8-13(20-2)12(14(9-11)21-3)10-17-18-15-6-4-5-7-16-15/h4-10H,1-3H3,(H,16,18)
InChIKeyQNKRYRFVXJYUED-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.55
Rot. Bonds6

About N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine

N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine (PubChem CID 4235681) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine
PubChem CID4235681
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCOc1cc(OC)c(C=NNc2ccccn2)c(OC)c1
InChIInChI=1S/C15H17N3O3/c1-19-11-8-13(20-2)12(14(9-11)21-3)10-17-18-15-6-4-5-7-16-15/h4-10H,1-3H3,(H,16,18)
InChIKeyQNKRYRFVXJYUED-UHFFFAOYSA-N
XLogP2.55
TPSA64.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.55
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-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline
CID 169381531
2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3709889
N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6146230
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5008756
3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol
CID 4137951
N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine
CID 110505657
N-[(E)-(3,5-dibromo-2,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 110505661
N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 9121741
2-methoxy-6-prop-2-enyl-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 136704845
N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 110505665
7-methoxy-3-[(pyridin-2-ylhydrazinylidene)methyl]chromen-4-one
CID 70622612
N-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine
CID 3575879

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine (CID 4235681) is N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine is COc1cc(OC)c(C=NNc2ccccn2)c(OC)c1.
What is the InChIKey of N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine?
The InChIKey is QNKRYRFVXJYUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-19-11-8-13(20-2)12(14(9-11)21-3)10-17-18-15-6-4-5-7-16-15/h4-10H,1-3H3,(H,16,18).
What are the key properties of N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine?
N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine has a molecular weight of 287.32 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 4235681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).