6-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)pyridin-3-amine

C18H17N3O — CID 42691281

IUPAC6-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)pyridin-3-amine
SMILESCc1ccc(Oc2ccc(NCc3cccnc3)cn2)cc1
InChIInChI=1S/C18H17N3O/c1-14-4-7-17(8-5-14)22-18-9-6-16(13-21-18)20-12-15-3-2-10-19-11-15/h2-11,13,20H,12H2,1H3
InChIKeyQPOSKYOVNOHMQT-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.19
Rot. Bonds5

About 6-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)pyridin-3-amine

6-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)pyridin-3-amine (PubChem CID 42691281) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)pyridin-3-amine
PubChem CID42691281
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name6-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)pyridin-3-amine
SMILESCc1ccc(Oc2ccc(NCc3cccnc3)cn2)cc1
InChIInChI=1S/C18H17N3O/c1-14-4-7-17(8-5-14)22-18-9-6-16(13-21-18)20-12-15-3-2-10-19-11-15/h2-11,13,20H,12H2,1H3
InChIKeyQPOSKYOVNOHMQT-UHFFFAOYSA-N
XLogP4.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-methylphenoxy)-3-pyridinyl]hydrazine
CID 69019702
N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191420
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-3-ylpyrazole-5-carboxamide
CID 166377453
1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 61167930
4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 83961082
N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191396
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)aniline
CID 104938265
2-N-(4-phenoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893518
1-[6-(3-bromophenoxy)-3-pyridinyl]-3-(pyridin-3-ylmethyl)urea
CID 52836877
N-(2,4-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191360
3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline
CID 39375964

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)pyridin-3-amine?
The IUPAC name of 6-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)pyridin-3-amine (CID 42691281) is 6-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 6-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)pyridin-3-amine?
The canonical SMILES for 6-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)pyridin-3-amine is Cc1ccc(Oc2ccc(NCc3cccnc3)cn2)cc1.
What is the InChIKey of 6-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)pyridin-3-amine?
The InChIKey is QPOSKYOVNOHMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-14-4-7-17(8-5-14)22-18-9-6-16(13-21-18)20-12-15-3-2-10-19-11-15/h2-11,13,20H,12H2,1H3.
What are the key properties of 6-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)pyridin-3-amine?
6-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)pyridin-3-amine has a molecular weight of 291.35 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 42691281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).