6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine

C14H17N3O2 — CID 115321102

IUPAC6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine
SMILESCOc1ccc(N)c(OCCCc2ccncc2)n1
InChIInChI=1S/C14H17N3O2/c1-18-13-5-4-12(15)14(17-13)19-10-2-3-11-6-8-16-9-7-11/h4-9H,2-3,10,15H2,1H3
InChIKeyHHDIDFCJVILJQR-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.08
Rot. Bonds6

About 6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine

6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine (PubChem CID 115321102) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine
PubChem CID115321102
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine
SMILESCOc1ccc(N)c(OCCCc2ccncc2)n1
InChIInChI=1S/C14H17N3O2/c1-18-13-5-4-12(15)14(17-13)19-10-2-3-11-6-8-16-9-7-11/h4-9H,2-3,10,15H2,1H3
InChIKeyHHDIDFCJVILJQR-UHFFFAOYSA-N
XLogP2.08
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-2-propoxypyridin-3-amine
CID 43261942
5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-carboxamide
CID 114408728
2-[3-(dimethylamino)propoxy]-6-methoxypyridin-3-amine
CID 115321132
6-methoxy-2-(2-phenoxyethoxy)pyridin-3-amine
CID 115321069
6-methoxy-2-(2-propoxyethoxy)pyridin-3-amine
CID 115321149
2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine
CID 80865296
2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline
CID 115555280
5-bromo-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine
CID 61228872
methyl 5-amino-6-(3-phenylpropoxy)pyridine-2-carboxylate
CID 114408903
4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine
CID 80845389
5-(3-pyridin-4-ylpropoxy)quinolin-8-amine
CID 43449674
5-chloro-2-(3-pyridin-4-ylpropoxy)aniline
CID 29006395

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine?
The IUPAC name of 6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine (CID 115321102) is 6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine.
What is the SMILES notation for 6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine?
The canonical SMILES for 6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine is COc1ccc(N)c(OCCCc2ccncc2)n1.
What is the InChIKey of 6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine?
The InChIKey is HHDIDFCJVILJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-13-5-4-12(15)14(17-13)19-10-2-3-11-6-8-16-9-7-11/h4-9H,2-3,10,15H2,1H3.
What are the key properties of 6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine?
6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine has a molecular weight of 259.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine is sourced from PubChem (CID 115321102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).