6-(4-methoxyphenyl)-3-[(methylideneamino)methyl]-4-pyridin-3-ylpyridin-2-amine

C19H18N4O — CID 142908651

IUPAC6-(4-methoxyphenyl)-3-[(methylideneamino)methyl]-4-pyridin-3-ylpyridin-2-amine
SMILESC=NCc1c(-c2cccnc2)cc(-c2ccc(OC)cc2)nc1N
InChIInChI=1S/C19H18N4O/c1-21-12-17-16(14-4-3-9-22-11-14)10-18(23-19(17)20)13-5-7-15(24-2)8-6-13/h3-11H,1,12H2,2H3,(H2,20,23)
InChIKeySWKCMWBFNMLKKD-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.60
Rot. Bonds5

About 6-(4-methoxyphenyl)-3-[(methylideneamino)methyl]-4-pyridin-3-ylpyridin-2-amine

6-(4-methoxyphenyl)-3-[(methylideneamino)methyl]-4-pyridin-3-ylpyridin-2-amine (PubChem CID 142908651) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-[(methylideneamino)methyl]-4-pyridin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-[(methylideneamino)methyl]-4-pyridin-3-ylpyridin-2-amine
PubChem CID142908651
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name6-(4-methoxyphenyl)-3-[(methylideneamino)methyl]-4-pyridin-3-ylpyridin-2-amine
SMILESC=NCc1c(-c2cccnc2)cc(-c2ccc(OC)cc2)nc1N
InChIInChI=1S/C19H18N4O/c1-21-12-17-16(14-4-3-9-22-11-14)10-18(23-19(17)20)13-5-7-15(24-2)8-6-13/h3-11H,1,12H2,2H3,(H2,20,23)
InChIKeySWKCMWBFNMLKKD-UHFFFAOYSA-N
XLogP3.60
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine
CID 177437339
4-methoxy-2-pyridin-3-ylaniline
CID 71445761
3-(2,4-dimethoxyphenyl)pyridine
CID 46316965
5-(4-methoxyphenyl)-2-pyridin-3-ylpyridine
CID 59027680
2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile
CID 5088040
2-[[3-cyano-4-(4-methoxyphenyl)-6-pyridin-3-yl-2-pyridinyl]sulfanyl]acetamide
CID 46242707
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
3-(2-methoxy-3-pyridin-3-ylphenyl)pyridine
CID 46316374
N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3378255
2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636662
4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline
CID 630923
3-amino-N-(2,5-dimethoxyphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;molecular hydrogen
CID 159900740

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-[(methylideneamino)methyl]-4-pyridin-3-ylpyridin-2-amine?
The IUPAC name of 6-(4-methoxyphenyl)-3-[(methylideneamino)methyl]-4-pyridin-3-ylpyridin-2-amine (CID 142908651) is 6-(4-methoxyphenyl)-3-[(methylideneamino)methyl]-4-pyridin-3-ylpyridin-2-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-[(methylideneamino)methyl]-4-pyridin-3-ylpyridin-2-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-3-[(methylideneamino)methyl]-4-pyridin-3-ylpyridin-2-amine is C=NCc1c(-c2cccnc2)cc(-c2ccc(OC)cc2)nc1N.
What is the InChIKey of 6-(4-methoxyphenyl)-3-[(methylideneamino)methyl]-4-pyridin-3-ylpyridin-2-amine?
The InChIKey is SWKCMWBFNMLKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-21-12-17-16(14-4-3-9-22-11-14)10-18(23-19(17)20)13-5-7-15(24-2)8-6-13/h3-11H,1,12H2,2H3,(H2,20,23).
What are the key properties of 6-(4-methoxyphenyl)-3-[(methylideneamino)methyl]-4-pyridin-3-ylpyridin-2-amine?
6-(4-methoxyphenyl)-3-[(methylideneamino)methyl]-4-pyridin-3-ylpyridin-2-amine has a molecular weight of 318.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-[(methylideneamino)methyl]-4-pyridin-3-ylpyridin-2-amine is sourced from PubChem (CID 142908651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).